Design of 1,3-Propanediol Plant

CCB 4013 PLANT DESIGN I
SEMESTER MAY 2016
DESIGN OF
1,3-PROPANEDIOL PLANT
GROUP 2
KHOO TOU SENG 17248

JASVINDER SINGH 15477
MOHAMAD FAEEZANI BIN MOHD FAUDZI 17362
NUR HAFIZA BINTI YAHYA 17691
NUR AMIRAH HANIM BINTI RAHIM 17373
Chemical Engineering Programme

Universiti Teknologi PETRONAS
MAY 2016 Semester
CERTIFICATION OF APPROVAL
CCB 4013 PLANT DESIGN PROJECT I
SEMESTER MAY 2016
DESIGN OF 1,3-PROPANEDIOL PRODUCTION PLANT USING CRUDE

GLYCEROL FROM BIODIESEL PRODUCTION
GROUP 9
KHOO TOU SENG 17478
JASVINDER SINGH 15477
MOHAMAD FAEEZANI BIN MOHD FAUDZI 17362
NUR HAFIZA BINTI YAHYA 17691
NUR AMIRAH HANIM BINTI RAHIM 17373
APPROVED BY
_______________________________
DR. SUZANA YUSUP (Group Supervisor)
DATE:
CHEMICAL ENGINEERING DEPARTMENT
UNIVERSITI TEKNOLOGI PETRONAS
MAY 20
ACKNOWLEDGEMENT
First and foremost, we would like to express our deepest gratitude to the Chemical
Engineering Department of Universiti Teknologi Petronas (UTP) because giving us
opportunity to enhance our skills and knowledge in designing a plant with this Plant
Design Project (PDP). By doing this project in a group comprising of different major of
studies, we are able to share our knowledge with each order to complete this project.
We would like to express our sincerest gratitude to our supervisor, Dr Suzana

Yusup who is always willing to spend her time for us. Even though she is busy, she always
find time to meet us and listened to our update. All the suggestion and guidance given by
her have helped us in accomplishing our project.
Our sense of gratitude is also extended to our Coordinator, Ir Dr Abdul Halim Shah
B Maulud for his assistance and support throughout conducting our project. He has
arranged many lectures related to PDP to help us with our project. Besides that, special
notes of thanks to all the lectures, staffs, colleagues, friends and also family that are
involved directly or even indirectly in making this project a success. Their endless support
and encouragement was always needed in finishing this project. Thank you.
iii
EXECUTIVE SUMMARY
1. Overview
This project aims to design an environmentally friendly and cost-efficient plant
to produce a 1,3-propanediol plant from crude glycerol. The annual production aimed
for this project is 13.5 kilo tons in Malaysia, taking into account environmental impact,
profitability and plant safety as the main concerns. The compositions in crude glycerol
are glycerol, ash, water and Matter Organics Non-Glycerol (MONG). The process
route that have been chosen to produce the desired product with 99.99% purity (by
mass) is fermentation using bacteria called Klebsiella pneumoniae. The by-products
for this process route are ethanol, 2,3-butanediol and acetic acids.
2. Summarized PFD
Please refer the document attached PFD before integration.
3. General Process Description
Two reactions take place in the plant:
i) Neutralization:
Condition, conversion and reactor model for neutralization reaction

Information
Temperature 35 oC 42 oC
Pressure 1 atm
Phase present Liquid and solid
Process operating condition Adiabatic
Conversion 100% based on limiting sodium oleate
Reactor model Continuous stirred tank reactor
iv
ii) Fermentation:
Process condition, conversion and reactor model for fermentation reaction

Information
Temperature 37 oC
Pressure 1 atm
Phase present Solid, Liquid and Vapor
Process operating condition Isothermal
Conversion 100% based on Glycerol
Reactor model Fed batch operation/ fed-batch reactor
4. Material Balance
The main streams of input and output are as in the table below. The efficiencies
and the conversion for the equipments depend on industrial data and preliminary
calculations.
Component Stream Input (kg/h) Stream Output (kg/h)

Glycerol 5320 -
1,3-propanediol - 1747
2,3-butanediol - 1.0
Oleic Acid 300 0.3
Methyl Oleate 300 0.5
5. Utility requirement
The requirement of hot and cold utilities can be seen as follows:
Equipment Heaters and coolers Distillation column Fermenters

Utilities/ Mode Continuous Continuous Fed-batch
Hot (kW) 84 20360 9504576
Cold (kW) 15250 17756 60535202
v
6. Heat Integration
Type of Utilities requirement Heat Utilities requirement Reduction

utilities before heat integration integrated after heat integration (%)
(kW) (kW) (kW)
Hot 2318 2235.426 82.574 96.44
Cold 3572 2235.43 1336.57 62.85
7. Major Equipment
Equipment Equipment Tag Temperature (oC) Pressure (kPa)

Neutralizer R-1 35-41 101.3
Production fermentor R-3 37 101.3
Flash drum F-1 155 101.3
Distillation column T-1 80.2-120.5 181-200
Distillation column T-2 116.9 310.6 180-200
8. Waste Treatment
The process of the plant generates several wastes in the form of liquid and gas.
The wastes to be treated are methyl oleate, oleic acid, ethanol, 2,3-butanediol,
hydrogen gas and carbon dioxide. Basically there are no generation of solid wastes in
the process except for the sludge from wastewater treatment. The wastes need to be
treated to comply with the law under Environmental Quality (Sewage and Industrial
Effluents) Regulation, 1979.
vi
9. Economics Evaluation
Parameter Information
Plant size location Asia (Malaysia)
Operating day (hour) of the plant 331 (7944)
Operating hour for glycerol purification 5985
Operating factor 0.9068
Total number of batch/ year 187
1,3-PDO production kg/ batch 74846.4
1,3-PDO production kg/ year [metric kilo ton/ year] 14.0 million [15]
Methanol recovery kg/ h 1566.5
Methanol recovery kg/ year [metric kilo ton/ year] 9.376 million [9.376]
Glycerol consumption kg/ batch 165300
Glycerol consumption kg/ year [metric kilo ton/ year] 30.9 million [30.9]
Media consumption kg / batch 8100
Media consumption kg/ year [ metric kilo ton/ year] 1.5 million [1.5]
The price of methanol and culture nurtrient media is taken as RM 1.6 per kg and RM 10
per kg and the price of crude glycerol and 1,3-PDO is as above.
Annual profit from simple reactant and product calculation

= Annual production of 1,3-PDO (Price of 1,3-PDO) + Annual recover of methanol
(Price of methanol) Annual consumption of glycerol (Price of glycerol)
= 13.7 x1 106 (25) + 9.376 x 106 (1.6) 30.9 x 106 (1) 1.5 x 106 (10)
= RM 311.6 million
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6. Plant Location
There are several criteria to be considered before selecting a suitable plant
location. The factors that we take into account to choose the best option are:
i) Raw Material Availability
ii) Markets
iii) Climate and natural disasters
iv) Waste disposal
v) Utilities
vi) Transportation facilities
vii) Labor supply
viii) Taxation and legal restriction
ix) Site characteristics
x) Flood and fire protection
xi) Community Factor
xii) Government Incentives
After considerations, options were narrowed down to four locations; i) Pasir Gudang
Industrial Area, Johor ii) Gebeng Industrial Area, Pahang iii) Port Klang Free Zone,
Selangor iv) Lumut Industrial Area, Perak. The location selected based on the 12 criterias
is Gebeng Industrial Area, Pahang.
viii
TABLE OF CONTENT
CHAPTER 1: INTRODUCTION ....................................................................................... 1

1.1 Background of the Design Project ............................................................................ 1
1.2 Problem Statement .................................................................................................... 2
1.3 Objectives.................................................................................................................. 3
1.4 Scope of Work .......................................................................................................... 3
CHAPTER 2: LITERATURE REVIEW ............................................................................ 4

2.1 Market Analysis ........................................................................................................ 4
2.1.1 Glycerol .............................................................................................................. 4
2.1.2 1,3-Propanediol (1,3-PDO) ................................................................................ 6
2.2 Properties of Feed and Products................................................................................ 7
2.2.1 Feed .................................................................................................................... 7
2.2.2 Product................................................................................................................ 8
2.3 Reaction Pathway of 1,3-Propanediol Production .................................................. 12
2.3.1 Selective Dehydroxylation of Glycerol ............................................................ 12
2.3.2 Catalytic Hydrogenolysis of Glycerol .............................................................. 14
2.3.3 Fermentation of Glycerol ................................................................................. 15
2.4 Plant Location and Site Selection ........................................................................ 17
CHAPTER 3: PRELIMINARY HAZARD ANALYSIS ................................................. 24

3.1 Summary of Previous Accidents on Similar Type of Plants ................................... 24
3.2 Identification of Material and Chemical Hazards in the Process ............................ 26
3.3 Discussion on the Possibility to Reduce Potential Consequences of an Accident by
Considering Inherent Safety Aspects ............................................................................ 33
3.3.1 Substitute Hazardous Chemicals ...................................................................... 33
3.3.2 Reduce Inventory ............................................................................................. 34
3.3.3 Lower Pressure and Temperature ..................................................................... 34
3.3.4 Safe Location .................................................................................................... 35
3.3.5 Plant Layout ..................................................................................................... 36
3.3.6 Transportation .................................................................................................. 37
3.4 Identification of Any Requirement/Compliance by Local Safety Regulations and
Design Guidelines ......................................................................................................... 37
3.4.1 Occupational Safety and Health Act (OSHA) 1994 ......................................... 37
3.4.2 Factories and Machinery Act (FMA) 1967 ...................................................... 39
3.4.3 Environmental Quality Act (EQA) 1974.......................................................... 40
ix
3.4.4 Process Safety Management (PSM) Standards ................................................ 43
CHAPTER 4: CONCEPTUAL DESIGN ANALYSIS .................................................... 46

4.1 Priliminary Reactor Optimization ........................................................................... 46
4.1.1 Selection of Reaction Pathway ......................................................................... 46
4.1.2 Selection of Microorganism Strain................................................................... 49
4.1.3 General Process Description ............................................................................ 50
4.1.4 Selection of Operation Mode and Fermenter ................................................... 53
4.2 Process Screening ................................................................................................... 59
4.2.1 Separation Method and Train Sequence ........................................................... 59
4.2.2 Process Block Diagram and Manual Mass Balance ...................................... 64
4.2.3 Aspen HYSYS Simulation Study ..................................................................... 69
4.2.4 Discussion on HYSYS Simulation ................................................................... 71
4.3 Economic Evaluation .............................................................................................. 73
CHAPTER 5: HEAT INTEGRATION ............................................................................ 75

5.1 Pinch Analysis......................................................................................................... 75
5.1.1 Stream Data Extraction .................................................................................... 75
5.1.2 Determination of Minimum Temperature Difference ...................................... 77
5.1.3 Problem Table Algorithm Method and Grand Composite Curve .................... 78
5.1.4 Heat Exchanger Network System Design ........................................................ 81
CHAPTER 6: PROCESS FLOWSHEETING .................................................................. 83

6.1 Process Flowsheeting .............................................................................................. 83
CONCLUSION ............................................................................................................. 86
RECOMMENDATIONS .............................................................................................. 87
REFERENCE ................................................................................................................ 88
APPENDICES .............................................................................................................. 93
Appendix A Industrial Estate in Pahang State .......................................................... 93
Appendix B Development of Gebeng Industrial Area .............................................. 94
Appendix C Process Flow Diagram Before Heat Integration95
Appendix D Process Flow Diagram After Heat Integration..97
Appendix E Material Safety Data Sheet........99
x
LIST OF FIGURES
FIGURE 2.1 Global glycerol production and price of crude glycerol ............................... 4
FIGURE 2.2 Glycerol industrial applications of glycerol (Tan et al., 2013) ..................... 5
FIGURE 2.3 Structural formula of glycerol (Wikipedia) ................................................... 7
FIGURE 2.4 Structural formula of 1,3-propanediol (Wikipedia) ...................................... 8
FIGURE 2.5 Structural formula of ethanol ........................................................................ 9
FIGURE 2.6 Structural formula of 2,3-butanediol ........................................................... 10
FIGURE 2.7 Structural formula of acetic acid ................................................................. 11
FIGURE 2.8 Illustrations of the new approach of glycerol conversion ........................... 13
FIGURE 2.9 Reaction pathways of glycerol hydrogenolysis ........................................... 14
FIGURE 2.10 Overview of some possible end products for different microorganisms
during fermentation of glycerol ........................................................................................ 16
FIGURE 3.1 NFPA rating label........................................................................................ 31
FIGURE 4.1 The Onion Model ........................................................................................ 46
FIGURE 4.2 Schematic diagram of neutralizer ................................................................ 50
FIGURE 4.3 Shematic diagram of production fermenter ................................................. 58
FIGURE 4.4 Mass balance of the separation process....................................................... 62
FIGURE 4.5 Distillation column sequencing ................................................................... 63
FIGURE 4.6 Process block diagram of 1,3-PDO production plant .................................. 64
FIGURE 4.7 HYSYS Simulation PFD ............................................................................. 70
FIGURE 5.1 Problem Table Method ................................................................................ 78
FIGURE 5.2 Composite curve .......................................................................................... 79
FIGURE 5.3 Grand composite curve................................................................................ 80
FIGURE 5.4 Heat Exchanger Network Design ................................................................ 82
FIGURE 6.1 Process Flow Diagram ................................................................................ 83
xi
LIST OF TABLES
TABLE 1.1. Composition of crude glycerol ...................................................................... 2
TABLE 2.1 Physical and chemical properties of glycerol ................................................. 7
TABLE 2.2 The physical and chemical properties of 1,3-PDO ......................................... 8
TABLE 2.3 The physical and chemical properties of ethanol............................................ 9
TABLE 2.4 The physical and chemical properties of 2,3-butanediol .............................. 10
TABLE 2.5 The physical and chemical properties of acetic acid .................................... 11
TABLE 2.7 Possible Plant Location ................................................................................. 19
TABLE 2.8 Selection criteria of site selection ................................................................. 22
TABLE 2.9 Rating scale of selection criteria ................................................................... 23
TABLE 3.1 Summary of Previous Accident in Bioprocess Plants .................................. 24
TABLE 3.2 Material and Chemical Hazards in the Process ............................................ 26
TABLE 3.3 Properties of ethanol ..................................................................................... 31
TABLE 3.4 Precautionary measuring of handling with ethanol ...................................... 32
TABLE 4.1 Comparison of the pros and cons of each reaction pathway......................... 46
TABLE 4.2 Price of raw materials and products .............................................................. 47
TABLE 4.3 First level of economic potential of reaction pthway ................................... 48
TABLE 4.4 Comparison of Costridium and Enterobacteriaceae on 1,3-PDO productivity
.......................................................................................................................................... 49
TABLE 4.5 process condition, conversion and reactor model for neutralization reaction
.......................................................................................................................................... 50
TABLE 4.6 Comparison of yields of 1,3-PDO and byproducts and productivities ......... 52
TABLE 4.7 Characteristic features of various operation mode of fermenter ................... 53
TABLE 4.8 General advantages and disadvantages of different kind of bioreactors ...... 55
.......................................................................................................................................... 58
TABLE 4.10 Composition of fermentation liquors after complete fermentation ............ 59
TABLE 4.11 Separation methods of 1,3-propanediol ...................................................... 60
TABLE 4.12 Purification of 1,3-PDO .............................................................................. 60
TABLE 4.13 Data for a mixture of fermentation to be separated .................................... 61
TABLE 4.14 Elements included in the annualized cost of a distillation column ............. 62
TABLE 4.15 Candidate sequences of distillation columns .............................................. 62
TABLE 4.16 Assumption made for reactor, flash drum and distillation column............. 65
TABLE 4.17 Manual Mass Balance ................................................................................. 66
TABLE 4.18 Major process equipment ............................................................................ 69
xii
TABLE 4.19 Comparison of simulation results between manual mass balance and
HYSYS simulation for production fermenter ................................................................... 71
HYSYS simulation for distillation columns ..................................................................... 72
TABLE 4.21 1,3-PDO supply to demand from 2018 to 2028 .......................................... 73
TABLE 5.1 Stream data extracted from process flow diagram ........................................ 75
TABLE 5.2 Data for HINT heat integration ..................................................................... 76
TABLE 5.4 Shifted supply and target temperature of selected streams ........................... 77
TABLE 5.5 Rules of the pinch design method ................................................................. 81
TABLE 5.7 Utilities requirement before and after heat integration ................................. 81
TABLE 5.8 Utilities requirement for distillation column and fed-batch operation of
reactor ............................................................................................................................... 81
xiii
CHAPTER 1: INTRODUCTION
1.1 Background of the Design Project
Biodiesel has been produced widely because of its application as an alternative and
renewable fuel. It is reported the biodiesel production is expected to reach 37 billion gallon
by 2016 with an annual average growth of 42% (Lee et al., 2015). As glycerol being the
main byproduct of biodiesel production, the increase in the amount of glycerol in the
market has resulted in the market saturation and hence the closing of glycerol plants
(Pagliaro et al., 2007). Meanwhile, owing to the commercial application of 1,3-
propanediol (1,3-PDO) as the feedstock of the polytrimethylene terephthalate (PTT)
industries, a speedy growth in its production with over 100 million pounds being produced
annually is reported (Lee et al., 2015). Currently chemical synthesis of 1,3-PDO from
acrolein and ethylene oxide is expensive because of high temperature, high pressure,
expensive catalysts and production of toxic intermediates (da Silva et al., 2009). Besides,
industrial fermentation of glycerol into 1,3-PDO which requires the use of multiple
bacteria (Wallace et al., 2016). Meanwhile, chemical and biotechnological synthesis of
1,3-PDO appears to be an attractive alternative with crude glycerol as the low-cost
feedstock. In response to this matter, our team has been identified by an investment
company, Tronoh Invest, to take up the project of designing a potential 1,3-PDO plant that
can capitalize the abundant and cheap crude glycerol in Malaysia as a feedstock.
1
1.2 Problem Statement
Conventional processes of synthesis of 1,3-PDO through hydration of acrolein

(Shell route) and hydroformylation of ethylene oxide (Degussa DuPont route) do not
utilize the abundant glycerol as the feedstock (Gong et al., 2010). As a matter of fact,
glycerol can be converted into 1,3-PDO through chemical reaction by either selective
dehydroxylation or catalytic hydrogenolysis and biological fermentation pathway using
microorganisms.
Selective hydroxylation of glycerol into 1,3-PDO is completed in three steps which

are acetalization, tosylation and detosylation. Nevertheless, this chemical synthesis
method is constraint to a high raw material cost, which mainly results from the
consumption of tosyl chloride in the process (Wang et al., 2003). On the other hand, the
production of 1,3-PDO by catalytic hydrogenolysis method requires high pressure and
temperature as well as the utilization of expensive platinum-based catalysts.
Fermentation of glycerol into 1,3-PDO seems to be a promising way due the low
energy consumption, greater selectivity on the final product, shorter reaction time, low
cost of glycerol as the feedstock and sustainability to the environment (da Silva et al.,
2015). However, for a bioconversion to be successful, the microorganisms must be able
to tolerate the impurities present in the crude glycerol and show as little sensitive as
possible to the reaction with either the impurities (Dobson et al., 2012). Besides, Lee et al.
(2015) reported that biological method involves the formation of a considerable number
of byproducts and is limited to the glycerol concentration as a substrate inhibitor.
The composition of crude glycerol given as the feedstock of 1,3-PDO production

is shown in Table 1.1. It is needed for our team to develop a conceptual process design of
a 1,3-PDO production plant in Malaysia by giving consideration to the plant location, plant
capacity, environmental concerns, energy consumption, safety, cost and product purity.
TABLE 1.1. Composition of crude glycerol

Component Percentage (wt%)
Glycerol 53.2
Ash 2.8
Water 18.8
MONG 25.2
2
1.3 Objectives
The main objective of this project is to design an environmentally friendly and cost-
effective 1,3-PDO production plant with an annual 1,3-PDO (99.9 % w/w) production of
13.5 kilo tons in Malaysia. The plant shall use crude glycerol as the main feedstock in
order to reduce the market supply. The design shall give top priority to environmental
concerns other than profitability and plant safety.
1.4 Scope of Work
Literature review is carried out to study and collect the relevant information about this
project. The design of the plant must cover the following aspects:
Proposed plant location

Market analysis of the feedstocks and products
Reaction pathway
Selection of separation
Detailed process flow diagram (PFD) and piping and instrumentation diagram
(P&ID)
Material and energy balance from computer-aided engineering software
Heat integration and waste minimization
Detailed equipment design using acceptable design codes
Utility systems requirement
Waste treatment facility design
Instrumentation and control as well as plantwide control strategy
Environmental impact assessment and health, safety and environmental (HSE)
analysis
Economic evaluation and feasibility study
3
CHAPTER 2: LITERATURE REVIEW
2.1 Market Analysis
2.1.1 Glycerol
The world is now in the search for the substitute of fossil fuel in response to the
current energy crisis including the depletion of fossil fuel, rise of petroleum price and
environmental issues. Therefore, biodiesel as one of the alternatives of the non-renewable
fuel has received worldwide attention and its production is well develop in recent years.
The production of biodiesel generate about 10 % by mass of glycerol as the main byproduct
which means that for approximately 1.05 pounds of glycerol produced along with every
gallon of biodiesel. There exist different reaction routes to produce glycerol but at the
present the mass production is through transesterification process.
Anitha et al. (2016) stated that biodiesel plants alone produced more than 65 % of
the glycerol in 2011. It is estimated that in 2020 about 5.8 billion pounds of glycerol would
be produced (Ayoub and Abdullah, 2012). Quispe et al. (2013) reported that today the Asia
Pacific region emerges as the largest glycerol producer and Malaysia and Philippines are
the Asian countries produce largest amount of glycerol from vegetable oils. The price of
glycerol has been declining in the world market due to the overly supply of glycerol and
present of impurities in the crude glycerol (Quispe et al., 2013). It is reported that over the
past few years the cost of refined glycerol ranges from $0.50 to $1.50/ lb whereas crude
glycerol from $0.40 to $0.33/ kg (Ayoub and Abdullah, 2012). Figure 2.1 shows the global
glycerol production and price of crude glycerol. The current price of glycerol in Malaysia
is in the range of RM 1016 RM 1076 PMT (Glycerine Report, 2016).
FIGURE 2.1 Global glycerol production and price of crude glycerol; bar represents the
production and line represents the cost (Anitha et al., 2016)
4
Glycerol is a valuable byproduct because of its wide range of industrial
applications as shown in Figure 2.2. The supply of glycerol might be strongly dependent
on the biodiesel production in the near future and the saturation of glycerol in the market
will keep them low price.
FIGURE 2.2 Glycerol industrial applications of glycerol (Tan et al., 2013)
5
2.1.2 1,3-Propanediol (1,3-PDO)
It was reported that the global market demand of 1,3-PDO is expected to reach
225.9 kilo tons by 2022 from 146 kilo tons in 2014, with an average increase of about 10
kilo tons per annum (Grand View Research, 2015). According to MarketsandMarkets
(2012), the compound annual growth rate (CAGR) of 1,3-PDO is expected to rise at 10.4%
in terms of value, between 2014 and 2021. Bi (2009) reported that the production of 1,3-
PDO is 13.6 million ton in 2011 and the main corporations at that time are Shell, Degussa
and DuPont. At the present, companies include DuPont Tale & Lye Bio Products Company,
LLC (The United States of America), Metabolic Explorer SA (France), SK Chemical Co.,
Ltd (Korea), Zhangjiangang Glory Biomaterial Co. Ltd (China) and Zouping Mingxing
Chemical Co., Ltd (China) produce the largest amount of 1,3-PDO to the market
(MarketsandMarkets, 2012). Meanwhile, America region ranks the first in the
consumption of 1,3-PDO with approximately 75 % of the total market volume in 2013
(MarketsandMarkets, 2012). Selling prices of 1,3-PDO by different producing companies
in China are compared in Alibaba website and it was found that the price of 1,3-PDO in
bulk quantity is around RM 25 per kilogram.
The applications of 1,3-PDO include the synthesis of polymers including

polyesters, polyethers and polyurethanes (PU), production of comestics, foods, lubricants
and medicines (Tan et al., 2013). Among these, the most dominant applications are
polytrimethylene terephthalate (PTT) and PU polymers (Lee et al., 2015). Compared to
polybutylene terephthalate (PBT) and polyethylene terephthalate (PET), PTT has higher
elasticity, internal stress and ultraviolet resistance, better continuous printing and dying
characteristics, less hydroscopic, lower electrostatics and better biodegradability. It is also
important to note that following advancement in the production technologies and widening
of its applications the production of PTT will continue to increase (Bi, 2009). The current
driving force of 1,3-production is mainly from the large demand of PTT demand. At
present, 1-3-PDO can be synthesized from acrolein, ethylene oxide and glycerol by
chemical means or from glucose and glycerol by biological means.
6
2.2 Properties of Feed and Products
2.2.1 Feed
As stated in the problem statement, crude glycerol [C3H5(OH)3] must be used as

the feedstock of the 1,3-PDO plant. Glycerol (propane-1,2,3-triol, glycerine, glycerin) is
an oily liquid containing three hydrophilic hydroxyl groups which make them hydrophilic
and hygroscopic. The presence of three hydroxyl groups forms intermolecular hydrogen
bonds which makes the molecules difficult to pass each other. As a result, glycerol appears
to be a very viscous liquid at room temperature. The structural formula of glycerol are
shown in Figure 2.3.
FIGURE 2.3 Structural formula of glycerol (Wikipedia)

Basically, glycerol can be classified into crude (60-80% purity) and purified
glycerol (99.1-99.8% purity). The crude glycerol is contaminated by impurities, including
water, ashes, salts, catalysts, colour pigments and MONG. MONG refers to matter organic
non-glycerol and consists of alcohols, free fatty acids, fatty acid methyl esters and soap.
The physical and chemical properties of glycerol is shown in Table 2.1.
TABLE 2.1 Physical and chemical properties of glycerol (Quispe et al., 2013)
2.2.2 Product
7
2.2.2 Product
i. 1,3-Propanediol
1,3-propanediol (1,3-PDO) with purity of 99.9 % w/w is the main product. It is an

organic compound with formula of C3H8O2, as shown in Figure 2.4. The viscosity and
miscibility in water of 1,3-PDO is contributed by the three-carbon diol. The physical and
chemical properties of 1,3-PDO is shown in Table 2.2.
FIGURE 2.4 Structural formula of 1,3-propanediol (Wikipedia)

TABLE 2.2 The physical and chemical properties of 1,3-PDO
Properties Unit
Molecular formula C3H8O2
Molar mass g/mol 76.09
Physical state - Liquid
Appearance - Colourless
Odor - Odorless
Relative density 1.052
Viscosity mPa.s 52.7 at 20 oC
o
Melting point C -24 - -28
o
Boiling point C 213-214
o
Flash point C 140
8
ii. Ethanol
Ethanol is one of the byproducts in the fermentation. It is an organic compound

with formula of C2H6O, as shown in Figure 2.5. The physical and chemical properties of
1,3-PDO is shown in Table 2.3.
FIGURE 2.5 Structural formula of ethanol (Wikipedia)
TABLE 2.3 The physical and chemical properties of ethanol

Properties Unit
Molecular formula C2H6O
Odor - Mild to strong, rather pleasant
o
Melting point C -114.1
o
Boiling point C 78.5
o
Flash point C 16.6 (100% w/w)
9
iii. 2,3-Butanediol
2,3-Butanediol is one of the byproducts in the fermentation. It is an organic

compound with formula of C4H10O2, as shown in Figure 2.6. The physical and chemical
properties of 2,3-Butanediol is shown in Table 2.4.
FIGURE 2.6 Structural formula of 2,3-butanediol (Wikipedia)
TABLE 2.4 The physical and chemical properties of 2,3-butanediol

Properties Unit
Appearance - Colourless to yellow
Odor - Odorless
Relative density 1.004 at 20 oC
o
Melting point C 20
o
Boiling point C 183-184
o
Flash point C 96
10
iv. Acetic Acid
Acetic acid is one of the byproducts in the fermentation. It is an organic compound

with formula of C2H4O2, as shown in Figure 2.7. The physical and chemical properties of
acetic acid is shown in Table 2.5.
FIGURE 2.7 Structural formula of acetic acid (Wikipedia)
TABLE 2.5 The physical and chemical properties of acetic acid

Properties Unit
Odor - Pungent, vinegar-like
Viscosity mPa.s 1.22
o
Melting point C 16-17
o
Boiling point C 118.1
o
Flash point C 16.6
11
2.3 Reaction Pathway of 1,3-Propanediol Production
Currently, the ordinary techniques of synthesis of the 1,3-propanediol are via

hydration of acrolein, hydroformylation of ethylene oxide and the most recent technique
is through enzymatic transformation of glycerol (Lee et al., 2015). This project focuses on
converting crude glycerol to 1,3-propanediol, thus we will focus on the following reactions
only. 1,3-propanediol can be synthesized from glycerol through two paths; chemical
process and biochemical process. The chemical approaches to the production of 1,3-
propanediol are selective dehydroxylation of glycerol (Wang et al., 2003) and catalytic
hydrogenolysis of glycerol, whereas the biochemical reaction path is through fermentation
synthesis of glycerol using bacteria (Lee et al., 2015) that can tolerate with the impurities
of crude glycerol (Dobson et al., 2012).
2.3.1 Selective Dehydroxylation of Glycerol
This process will transform the middle hydroxyl group selectively into a tosyloxyl
group with the aid of a group protection method, and then the transformed group is being
removed through dihydroxylation step, as shown in Figure 2.8.
The first step is to acetalize the glycerol using benzaldehyde, which is the
protective agent. The objective of this step is to protect the first and third hydroxyl group
of glycerol. With the protection of the stated hydroxyl groups being protected, the middle
one can be easily tosylated in the second step and ultimately removed in the third step. The
glycerol and benzaldehyde will undergo condensation, which is an equilibrium reaction,
but the completion can be driven through removal of water formed in the reaction. In
addition to the desired product, 1,2-product will also be formed in the reaction, which will
need to be separated. The separation process will cause the undesired product to return to
the acetalization reactor to either be converted into 1,3-propanediol or help shift the
process reaction towards the 1,3-product.
The second step is the tosylation of the unprotected middle hydroxyl group of the
glycerol. This step aims to transform the middle hydroxyl group into a good leaving group,
or in this situation, a tosyloxyl group. The final step is the conversion of a detosyloxylation
reaction, followed by hydrolysis reaction. The detosyloxylation process removes the
previous unprotected hydroxyl group, whereas the latter removes the protection on the first
and third hydroxyl groups. This final procedure yields the conversion target, which is the
1,3-propanediol.
12
FIGURE 2.8 Illustrations of the new approach of glycerol conversion
13
2.3.2 Catalytic Hydrogenolysis of Glycerol
A few catalysts have been experimented to convert glycerol to 1,3-propanediol

through hydrogenolysis reaction, namely Ir, Pt, Ru, Rh, Pd and Cu (Zhu et al., 2013). Out
of all these catalysts, supported Pt catalysts have the highest selectivity for this reaction.
Acid component will be added to the catalysts due to the bi-functional mechanism. The
reaction mechanism of the reaction is shown in Figure 2.9.
FIGURE 2.9 Reaction pathways of glycerol hydrogenolysis

As seen in the mechanism above, Bronsted acid sites have more advantage than Lewis acid
for the selective reaction conversion to 1,3-propanediol (Oh et al., 2011). The intermediate
for the formation of 1,3-propanediol is 3-hydroxylpropionaldehyde (3-HPA), which is
normally not observed as it is very unstable. The limitation of this reaction is that
hydrogenolysis of glycerol will favour 1,2-propanediol thermodynamically, rather than
1,3-propanediol. Other than that, the cleavage of the primary or secondary OH group is
highly dependent on the catalysts used.
14
2.3.3 Fermentation of Glycerol
Fermentation of glycerol through biotechnology is an environmental friendly

approach, compared to chemical process. This technique will decrease the consumption of
energy, reduce the emission of greenhouse gases and also yield higher product.
Microorganisms which are good to tolerate with the impurities of crude glycerol are used
in this process. Many of the bacteria exists are pathogenic, thus they are restricted to be
used in the industrial level. Studies and research have been made and they conclude that
the best microorganisms used for the production of 1,3-propanediol from crude glycerol
are Klebsiella pneumoniae and Clostridium butyricum (Dobson et al., 2012).
Fermentation of glycerol will be done under anaerobic condition through these

reactions: a portion of glycerol is oxidized to dihydroxyacetone by an NAD-dependent
glycerol dehydrogenase, while the remaining glycerol will be dehydrated to 3-HPA by
vitamin B12-dependent dehydratase. 3-HPA will be ultimately reduced by an NAD-
depended oxioreductase to produce the desired product, which is 1,3-propanediol
(Papanikolaou et al., 2000). Parallel to the reaction, pyruvate will also be obtained from
the glycolysis pathway. This reaction will compete with 3-HPA to obtain NAD-dependent
oxioreductase to form by-products, like alcohol, citiric and acetic acid, butanol, etc, as
shown in Figure 2.10 (Lee et al., 2015). Different microorganisms will produce different
compositions of the by-products. Propanediol yield may decrease because of the by-
product production. The formation of by-product acetate during the fermentation process
may inhibit the growth of propanediol (Kivist et al., 2012). Thus, the by-products in the
pyruvate reduction pathway need to be maintained at the lowest level to achieve the
optimum yield of 1,3-propanediol.
15
FIGURE 2.10 Overview of some possible end products for different microorganisms
during fermentation of glycerol
16
2.4 Plant Location and Site Selection
The location of a chemical plant is important to ensure maximum profitability of a project

and the scope of future expansion. The principle factors to be considered in the selection
of plant location are as below. The description of the possible plant locations (Gebeng
Industrial Area, Pasir Gudang Industrial Area, Port Klang Free Zone and Lumut Industrial
Area) are shown in Table 2.7. The selection criteria is shown in Table 2.8.
i. Raw material availability
Crude glycerol is the main feedstock of 1,3-propanediol production. The plant therefore
should be built close to the supplier of crude glycerol in order to save the shipping feed, It
is also better if the shipping cost of crude glycerol is less than that of 1,3-propanediol.
ii. Markets
Proximity to the market is also critical in the reduction of shipping cost and increase the
plant profitability. The buyers will usually feel it convenient if the products can be
purchased from nearby sources. It is also essential to note that markets are also required
for byproducts. Therefore, to maximize the profit, it is critical to first identify the potential
consumers.
iii. Climate and natural disasters
It is suggested that the plant should be built in the location with averagely fair weather and
free of natural disasters. However, it makes no difference if the plant is built in Malaysia
in which the weather is fairly high throughout the year and it is free of natural disasters.
iv. Waste disposal
The site for urea production plant must be wide enough to accommodate effluent treatment
facilities. Besides, there should be waste processing plants around the chemical plant.
v. Utilities
To minimize the cost, it is best to find a location where utilities such as electricity, water
supply, cooling water, steam, demineralized water and others are easily available. Power
can be self-generated if the local cost of power is high.
17
vi. Transportation facilities
Major transportation facilities should be available near the plant including road network,
railroad, seaport, airport, pipeline and cable routes. These facilities are very much
important for import and export activities.
vii. Labor supply
At certain geographical areas, sometimes it can be hard to find appropriate skilled and
unskilled labor in the desired proportions. Therefore, availability of labor and skills must
be taken into account and carefully examined when coming to site selection.
viii. Taxation and legal restriction
Taxes include corporation income taxes (building, land, M&E and inventory), property
taxes and sales tax. Legislation concerning industrial investment and environment
protection in the state where the plant is built must be studied and clearly understood.
ix. Site characteristics
The geographical and geological features of the site such as the topography and soil
structure as well as the cost of the land, local building costs and living conditions in that
area as well as extra area future expansion must be taken into account.
x. Flood and fire protection
It is essential for the chemical plant to be situated near to fire departments and emergency
response units for emergency handling.
xi. Community factor

The chemical plant must be built in the site where the local community is acceptable in
such a way that it will not possess additional risk to the local population. Other factors
such as water consumption and discharge, local traffic, economic prosperity and
satisfactory living of plant personnels must also be considered.
xii. Government Incentives

Most state governments offer attractive incentives to investors. Some incentives grant
partial or total relief from income tax payment for a specified period, while indirect tax
incentives come in the form of exemptions from import duty, sales tax and excise duty.
18
TABLE 2.7 Possible Plant Location
Selection Criteria Pasir Gudang Industrial Gebeng Industrial Area, Port Klang Free Zone, Lumut Industrial Area,
Area, Johor Pahang Selangor Perak
Main raw material - AM Biofuels Sdn. - Plant Biofuels Corporation -Kl-Kepong Oleomas - Carotech Berhad
availability Bhd. Sdn. Bhd. Sdn.Bhd. - Lereno Sdn Bhd
- Cartino Sdn. Bhd. - Mission Biofuels Sdn. Bhd. - Man Jang Bio Sdn.Bhd.
- YPJ Palm -Mission Biotechnologies - Sime Darby Biodiesel
International Sdn. Sdn. Bhd. Sdn. Bhd.
Bhd. - Fima Biodiesel Sdn. Bhd.
- NEXSOL (Malaysia) - Future Prelude Sdn. Bhd.
Sdn. Bhd. - Innovans Bio Fuel Sdn.
- Vance Bioenergy Bhd.
Sdn. Bhd.
Available land area 85 acres 3777 acres 38 acres in Westport No information

& price RM 80 per sqft RM 18.00 per sqft RM 80 per sqft
50.58 acres
RM 130 per sqft
Competitor nearby None None None None
Water supplier SAJ Holdings Sdn.Bhd. - Semambu Water Treatment Syarikat Bekalan Air Available
Plant Selangor SDN. BHD.
- PETRONAS CUF
Natural Gas Supplier Gas Malaysia - Gas Malaysia Gas Malaysia Gas Malaysia
-PETRONAS Gas Berhad
19
Electricity supplier - Tenaga Naional Berhand -Tenaga National Berhand Tenaga National Berhand - Tenaga Nasional Berhad
(TNB): Sultan Iskandar (TNB) (TNB) (TNB)
Power Station
- PETRONAS Gas Berhad: - Alstom Lumut Power
- YTL Power International PETRONAS GAS CUF Plant
Berhad: Pasir Gudang
Power Station
Port facilities - Johor port - Kuantan Port Port Klang Lumut Port
- Tanjung Pelepas Port - Kemaman Port
- Tanjung Langsat Port
Airport Senai International Airport Sultan Ahmad Shah Airport Kuala Lumpur Sultan Azlan Shah Airport
International Airport
(KLIA)
Roadways Pasir Gudang Highway - Gebeng bypass Malaysia Federal Route 2 Ipoh-Lumut Expressway
- East Coast Highway
Railways for raw Available Kertih Kuantan Port Available Not available
materials/ products Railway Line by
transportation PETRONAS
Transportation - Peninsula Gas Utilization - Peninsula Gas Utilization Pipelines between 250 and Not available
pipeline & 9-km pipe-rack connects 1000 meters in Westport
the petrochemical plants of
Gebeng Industrial Estate to
and from the tank farm
facilities at Kuantan Port
20
Emergency - Balai Bomba dan - Pahang Fire and Rescue - Hospital Penawar - Lumut Hospital
Facilities Penyelamat Pasir Gudang Department Genbeng
branches - Pasir Gudang Specialist - Balai Bomba TLDM
- Pasir Gudang Emergency Hospital Lumut
Mutual Aid (PAGEMA) - PETRONAS Centralized
Emergency facilities - Jabatan Bomba dan - Balai Bomba dan
Penyelamat Negeri Penyelamat Sitiawan
- Gobeng Emergency Mutual Selangor
Aid (GEMA)
Population/ Pasir Gudang - 120,000 Kuantan District 600,000/ Selangor population - Lumut population
Manpower Johor Bahru District Abundance 5,874,100/ Abundance 200,000/ Abundance
500,000/ Abundance
Waste disposal - 5E Resources Sdn Bhd - Waste collection and - Alam Hijau Integrasi Sdn - PrimoChem
processing centre in
Bhd.
- CCM Chemicals Sdn Bhd Environment Technology
Park - Krubong-Karich Group
Sdn.Bhd
- Urban Environmental
Industries Sdn Bhd
Incentives - Pioneer status

- Investment tax allowances/ Income tax exemption
- Reinvestment allowances
- Infrastructure allowances
- Exemptions from tax duty and sales tax on raw materials, machinery, equipment, etc.
- Incentives for R&D
- Accelerated Capital allowance
21
TABLE 2.8 Selection criteria of site selection
Factors 1-2 marks 3 marks 4-5 marks
Raw material Raw material supply Raw material supply Raw material supply is
availability is none/ limited or is sufficient but sufficient and can be
must be obtained difficult to be obtained nearby easily
from somewhere far obtained nearby or
or both vice versa
Product Nearby market for Sufficient nearby Sufficient nearby

markets selling products and market for selling market for selling
by-products is none/ products products and by-
limited products
Competitor Many competitors Few competitors None or very few
nearby nearby competitor(s) nearby
Land Land is not available Land is available Land is available and
availability condition is good
Land price > RM 50 psf RM20 RM50 < RM 20 psf
psf
Water supply Water supply is Water supply is Water supply is
none/ limited or must sufficient but sufficient and can be
be obtained from difficult to be obtained nearby easily
somewhere far or obtained nearby or
both vice versa
Energy Energy supply such Energy supply such Energy supply such as
availability as electricity and fuel as electricity and electricity and fuel is
is limited or must be fuel is sufficient but sufficient and can be
obtained from difficult to be obtained nearby easily
somewhere far or obtained nearby or
both vice versa
Transportation Poor and limited air, Complete air, water, Very complete and
facilities water, road, rail and road, rail and piping well-developed air,
piping transport transport network water, road, rail and
network piping transport
network
Port facilities Port facilities is far/ Port facilities is Port facilities is nearby
lack of port facilities nearby but lack of and multi-purpose
port facilities or vice facilities is available
versa
Manpower Limited skilled Sufficient skilled Very sufficient skilled
manpower available manpower available manpower nearby and
nearby nearby there are recruitment
agencies nearby
Waste Unavailability of or Availability of Availability of
disposal poor waste disposal waste disposal considerable amount of
facility facilities proper waste disposal
facilities
Flood and fire Access to flood and Access to flood and Flood and fire
protection fire protection is fire protection is protection is complete
difficult easy & accessible
22
Table 2.9 shows the weightage allocated for each category of site selection factors of each of the proposed plant locations above.
TABLE 2.9 Rating scale of selection criteria

Factor Selection Pasir Gudang Industrial Gebeng Industrial Port Klang Free Zone, Lumut Industrial Area,
criteria Area, Johor Area, Pahang Selangor Perak
10 Raw material 5 10 5 10 5 10 4 8
availability
Market
Competitor
10 Land 3 6 5 10 4 8 3 6
availabiliy
10 Land price 3 6 5 10 3 6 3 6
10 Water supply 5 10 5 10 5 10 5 10
10 Energy 5 10 5 10 5 10 5 10
availability
10 Transportation 5 10 5 10 4 8 4 8
facilities
10 Port facilitues 5 10 5 10 5 10 4 8
10 Manpower 5 10 5 10 5 10 4 8
10 Waste 5 10 5 10 5 10 4 8
management
10 Flood and fire 5 10 5 10 5 10 5 10
protection
TOTAL 92 100 92 76
The rating of competitor and market of each location is the same.
According to Table 2.9, we chose to build our plant in Gebeng industrial area, Pahang . Refer to Appendix A and Appendix B for the location and
layout of Gebeng Industrial Estate Area.
23
CHAPTER 3: PRELIMINARY HAZARD ANALYSIS
3.1 Summary of Previous Accidents on Similar Type of Plants
Previous accidents reported for 1,3-PDO production plant is unavailable to be found online. Therefore, accidents that happened in
bioprocess plants were reviewed. Due to the risk associated with bioprocess plant, there are few industrial accidents that cause as much damage
as an accident at a chemical plant. Throughout history, we have seen these types of disasters result in catastrophic damage, including fatalities,
severe injuries, and unimaginable property damage. Below, Table 3.1 shows some examples of the worst previous accident that happen in glycerine
and bio-processing plants by anaerobic microorganisms.
TABLE 3.1 Summary of Previous Accident in Bioprocess Plants

Year Location Summary of the description
1986 USA The accident happened when the victim was told to hose the interior of a fermentation tank. He fell accidentally into the
tank which contains 48 % of carbon dioxide and 6 & of oxygen and was unable to climb out and confronted in the tank
for almost 2 hours. The worker was reported dead of asphyxiation of carbon dioxide.
1996 Japan Leakage of glycerine was reported in a chemical factory located in Amagasaki, Hyogo, Japan and led to fire damage. The
accident is triggered by a crack of a heat exchanger. Investigation found out that the crack was formed as a result of
corrosion stress.
2004 USA Three employees were injured during the activities of removing foreign substance in a fermentation tank. It was reported
that the employees did not know the tank still contains hazardous chemicals while they entered the tank for cleaning and
soon one of the employees collapsed after inhaling toxic vapor.
24
2006 Germany Two digesters burst causing around seven million litres of fermentation sludge and rainwater to flow over adjacent fields
during the biogas production from anaerobic digestion of household waste treatment. A third 20-m high digester tank was
at risk of collapsing. Not only the site but also two bodies of water were polluted when the mixture ran down from the
plateau on which the plant had been build. There was no apparent risk to the population was noted during this accident.
However, severe damage to an adjacent building and a fuel oil tank, from which around 1000 L of fuel oil leaked due to
bursting force of the standing fermenters. The amount of the loss was approximated to be 10 M. The cause of accident
was believed to be tank failure although no evidence was able to support the claim.
2007 Germany A 20 m-high and 17 m-wide anaerobic digester ruptured, spreading debris up to 200 m around the plant during the biogas
production from anaerobic digestion. Several construction equipment were severely damaged and buildings in the
immediate vicinity were partially destroyed with 2 operators were reported injured. An overturned tank caused several
hundred litres of fuel oil poured out from the tank. The property damage was reported to be around 1.5 M and the business
interruption loss approximated to be 1 M. Causes of accident are still unknown.
2009 Mexico Six workers died intoxicated at the bottom of the underground water tank while they were cleaning the tank during the
biogas production from waste water treatment. Three others were hospitalized. Gas fumes from organic waste was found
to be cause of the accident.
2009 UK A worker was trying to loosen up a crust that was hindering the digester from working properly during the biogas
production from anaerobic digestion. He died after inhaling the gas inside the digester.
2011 USA An employee was reported dead after he accidentally fell into a fermentation tank. Investigation reports that the tank was
energized and the agitator was spinning at the time the employee was going to perform tank prewash activities. He fell
into the fermentation tank for unknown reason and found unresponsive by his co-workers.
25
3.2 Identification of Material and Chemical Hazards in the Process
A Material Safety Data Sheet (MSDS) is a document that contains information on the potential hazards (health, fire, reactivity and
environmental) and how to work safely with the chemical product. It is an essential starting point for the development of a complete health and
safety program. It also contains information on the use, storage, handling and emergency procedures all related to the hazards of the material. The
MSDS contains much more information about the material than the label. The supplier or manufacturer of the material prepares the MSDS. It is
intended to tell what the hazards of the product are, how to use the product safely, what to expect if the recommendations are not followed, what
to do if accidents occur, how to recognize symptoms of overexposure, and what to do if such incidents occur. The material safety data sheet for
all the materials and chemicals are attached in Appendix I. Table 3.2 shows the summarizes of hazards for materials and chemicals used in the 1,3-
propanediol production plant.
TABLE 3.2 Material and Chemical Hazards in the Process

Chemical Flammability Toxicity Chemical Interaction
FEED
Glycerol Must be preheated before ignition Intense or continued exposure Normally stable, but can become
can occur could cause temporary unstable at elevated temperatures
incapacitation or possible residual and pressures or may react with
injury unless prompt medical water with some release of energy,
attention is given. but not violently.
26
Sodium Oleate Must be preheated before ignition Exposure under fire conditions Normally stable, even under fire
can occur. would offer no hazard beyond that exposure conditions, and are not
of ordinary combustible materials. reactive with water.
M-Oleate Must be preheated before ignition Exposure under fire conditions Normally stable, even under fire
can occur. would offer no hazard beyond that exposure conditions, and are not
Oleic Acid Must be preheated before ignition Exposure could cause irritation but Normally stable, even under fire
can occur. only minor residual injury even if exposure conditions, and are not
no treatment is given. reactive with water.
Methanol Liquids and solids that can be Exposure could cause irritation but Normally stable, even under fire
ignited under almost all ambient only minor residual injury even if exposure conditions, and are not
conditions. no treatment is given reactive with water.
Sodium Phosphate Materials that will not burn. Exposure could cause irritation but Normally stable, but can become
only minor residual injury even if unstable at elevated temperatures
no treatment is given. and pressures or may react with
27
water with some release of energy,
but not violently.
Phosphoric Acid Materials that will not burn. Short exposure could cause serious Normally stable, but can become
temporary or residual injury even unstable at elevated temperatures
though prompt medical attention and pressures or may react with
was given water with some release of energy,
but not violently
PRODUCT & BYPRODUCTS
1,3- Propanediol Must be preheated before ignition Exposure could cause irritation but Normally stable, but can become
can occur. only minor residual injury even if unstable at elevated temperatures
no treatment is given. and pressures or may react with
water with some release of energy,
but not violently.
Ethanol Liquids and solids that can be Short exposure could cause serious Normally stable, even under fire
ignited under almost all ambient temporary or residual injury even exposure conditions, and are not
conditions though prompt medical attention reactive with water.
was given.
28
Acetic Acid Must be moderately heated or Short exposure could cause serious Normally stable, even under fire
exposed to relatively high temporary or residual injury even exposure conditions, and are not
temperature before ignition can though prompt medical attention reactive with water.
occur. was given.
2,3-Butanediol Materials that will not burn. Exposure under fire conditions Normally stable, even under fire
would offer no hazard beyond that exposure conditions, and are not
Carbon Dioxide Materials that will not burn. Intense or continued exposure Normally stable, even under fire
could cause temporary exposure conditions, and are not
incapacitation or possible residual reactive with water.
injury unless prompt medical
attention is given.
Hydrogen Will rapidly or completely Exposure under fire conditions Normally stable, even under fire
vaporize at normal pressure and would offer no hazard beyond that exposure conditions, and are not
temperature, or is readily dispersed of ordinary combustible materials. reactive with water.
in air and will burn readily
29
CCPS states that the definition of hazard is that hazard is an intrinsic characteristic
(chemical or physical) with the potential of causing damage to people, property or
environment and also can be the combination of hazardous material, an unsafe operating
environment and multiple unplanned events that will casually lead to an accident.
There are several existing identification systems in dealing with hazardous

materials. National Fire Protection Association Standard (NFPA) are among the two most
commonly used systems. NFPA is a widely known global organization which devoted to
eliminate death, injury, property and economic loss due to unfortunate circumstances such
as fire, electrical and related hazards. The NFPA rates the hazard by introducing a rating
system which refers to, in part, a safety standard put forth by the National Fire Prevention
Association (NFPA) themselves. This standard are known as NFPA 704, which outlines a
hazard rating system for emergency personnel.
The NFPA 704 standard also defines the necessity of signage and information that
must to be displayed in order to raise concern and to alert personnel of the type of
hazardous materials that are present.
Three colour codes and five intensity levels are included in the NFPA hazard rating
system. Each of the colour code which are blue, red and yellow of the hazard rating system
represents to the types of hazard: health, fire, and instability (denotation or chemical
change). Then, a numerical rating is given to the hazard in each coloured section. The
ratings range from 0 to 4. A rating of 4 is the highest and the lowest will be at a rating of
0. As an example, a rating of 4 in the red section of the hazard rating system brings the
meaning of the material should be considered highly flammable and therefore need to be
considered as dangerous. Within the NFPA hazard rating system, there is also a white
coloured section. This section is often left blank, but if a hazardous material presents a
special hazard, such as a material that reacts explosively to water, then this section would
be used.
There are only two symbols that are officially part of the NFPA hazard rating
system for use in the special hazard section, with one additional symbol for simple
asphyxiant gases that is recognized. Other additional symbols can be added by the end-
user, and placed outside the NFPA diamond. Figure 3.1 shows NFPA rating label.
30
FIGURE 3.1 NFPA rating label
Ethanol is the most hazardous chemical compared to others as the NFPA shows the
highest total hazardous index. Ethanol is rated as 3 Extremely Danger to health and
3- Below 100F to fire hazard for NFPA. Table 3.3 and Table 3.4 show the key
properties and precautionary measure of handling with ethanol. Below are the possible
hazards while dealing with ethanol:
Highly flammable liquid and vapour

May cause respiratory irritation
May cause drowsiness or dizziness
Suspected of causing cancer
May damage the unborn child
Causes damage to organs through prolonged or repeated exposure
TABLE 3.3 Properties of ethanol

Parameter Ethanol
Boiling point 77.1 C / 170.8 F
Flash point 13.9 C / 57 F
Flammability or explosive limit
UEL 18.0 vol %
LEL 3.3 vol %
Exposure limit STEL: 1000 ppm
31
TABLE 3.4 Precautionary measuring of handling with ethanol
Parameter Description
Personal Use personal protective equipment. Ensure adequate ventilation.
Precautions Remove all sources of ignition. Take precautionary measures
against static discharges.
Environmental Should not be released into the environment. Do not flush into
Precautions surface water or sanitary sewer system.
Methods for Soak up with inert absorbent material. Keep in suitable, closed
Containment and containers for disposal. Remove all sources of ignition. Use spark-
Clean Up proof tools and explosion-proof equipment.
Handling Wear personal protective equipment. Ensure adequate ventilation.
Do not get in eyes, on skin, or on clothing. Avoid ingestion and
inhalation. Keep away from open flames, hot surfaces and sources
of ignition. Use only non-sparking tools. To avoid ignition of
vapours by static electricity discharge, all metal parts of the
equipment must be grounded. Take precautionary measures against
static discharges.
Storage Keep containers tightly closed in a dry, cool and well-ventilated
place. Keep away from heat and sources of ignition.
Engineering Ensure adequate ventilation, especially in confined areas. Use
Measures explosion-proof electrical/ventilating/lighting/equipment. Ensure
that eyewash stations and safety showers are close to the
workstation location.
Eye/face Wear appropriate protective eyeglasses or chemical safety goggles
Protection
Skin and body Long sleeved clothing.
protection
Respiratory Follow the OSHA respirator regulations found in 29 CFR
Protection 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or
European Standard EN 149 approved respirator if exposure limits
are exceeded or if irritation or other symptoms are experienced.
Hygiene Handle in accordance with good industrial hygiene and safety
Measures practice.
32
3.3 Discussion on the Possibility to Reduce Potential Consequences of an Accident
by Considering Inherent Safety Aspects
3.3.1 Substitute Hazardous Chemicals
According to Table 3.1 above, all the chemicals and materials using in the fatty acids
production plant is safe except for phosphoric acid which are corrosive. Nevertheless,
phosphoric acid is vital to the degumming process. Thus, following control hierarchy can
be followed when substitution is not possible:
Design work processes and controls, and use adequate equipment and materials to
reduce the release of dangerous substances, for example by enclosure of the
emitting process or providing local exhaust ventilation (LEV).
Apply collective protection measures at the source of the risk, such as ventilation
and appropriate organisational measures such as minimising the number of
exposed workers and the duration and intensiveness of the exposure.
Apply individual protection measures including personal protective equipment
where exposure cannot be prevented by other means.
Minimise the exposure concentration, time, frequency and number of workers
exposed.
Investigate whether model instructions and guidelines are available.
If work practices are changed, changes of exposure should be evaluated.
33
3.3.2 Reduce Inventory
Inventory is a significant and visible asset in most companies. Executives and

shareholders have focused on inventory levels for years, but it has frequently been reduced
arbitrarily, without a full understanding of supply chain implications.
Selecting the best design of heat exchange equipment can simply reduce the
inventory significantly. The volume of hazardous material in a heat exchanger can be
reduce by a factor of 10 or more compared to a standard shell-and-tube heat exchanger
only by introducing an innovative heat exchanger design. There are a few innovative
design of heat exchanger and shell-and-finned tube, plate-fin and rotary exchangers are
the most efficient design of heat exchanger. But, nothing is perfect in this world because,
there are still a possibility of gasket leaks for plate exchanger or hazards related with seals
and moving parts in rotary exchangers when we apply these design.
Besides that, properly designing a distillation column can also reduce inventory in
this bioprocess plant and reduce the residence time in the distillation system. These may
be important for safely processing thermally sensitive materials. Often the largest
inventory of hazardous liquid is contained at the bottom of the column and in the reboiler.
This is particularly undesirable for a reactive or thermally sensitive material because this
part of the distillation column is at the highest temperature.
3.3.3 Lower Pressure and Temperature
Operating distillation columns or other equipment under vacuum condition can

reduce the temperature and pressure of the system.Corrosion can be defined as the
destruction of a metal by chemical or electrochemical reaction with its environment. There
are two basic problems which is first and most obvious is the failure of equipment with
the resultant cost of replacement and plant downtime. The second problem is decreased
plant efficiency due to loss of heat transfer hence result of heat exchanger fouling caused
by the accumulation of corrosion products. The corrosion of the equipment can be reduced
by conducting the reactors or column under vacuum condition. This is because there is no
CO2 and O2 for corrosion to happen.
34
3.3.4 Safe Location
In order to keep the cost of the product at a very minimum amount, there is a huge
need to find an ideal location with a large market share, having the least risk and the
possess a maximum social gain. It will then be a place of maximum net advantage which
may give lowest unit cost of production and distribution. Ought to achieve this objective,
small-scale entrepreneur need prepare and make an acute locational analysis for this
purpose. In the dynamical process of location analysis entrepreneur need to analyses and
compare the appropriateness or otherwise of alternative sites with the aim of selecting the
best site for a given enterprise. It consists the following:
a. Demographic Analysis
b. It involves study of population in the area in terms of total population (in no.), age
composition, per capita income, educational level, occupational structure etc.
c. Trade Area Analysis
d. It is an analysis of the geographic area that provides continued clientele to the firm. He
would also see the feasibility of accessing the trade area from alternative sites.
e. Competitive Analysis
f. It helps to judge the nature, location, size and quality of competition in a given area.
g. Traffic analysis
h. To have a rough idea about the number of potential customers passing by the proposed
site during the working hours of the shop, the traffic analysis aims at judging the
alternative sites in terms of pedestrian and vehicular traffic passing a site.
i. Site economics
j. Alternative sites are evaluated in terms of establishment costs and operational costs
under this. Costs of establishment is basically cost incurred for permanent physical
facilities but operational costs are incurred for running business on day to day basis,
they are also called as running costs.
Furthermore, when designing a plant, the selection of a safe location of the plant
and storage location of chemicals used should consider the following factors:
i. Keeping a safe distance between the plant location and the residential population
ii. The location of the storage units should be well placed in fair conditions and close
to the operation units to reduce the cost and lower the possibility of accidents
iii. Good ventilation system
35
3.3.5 Plant Layout
Plant layout is a critical decision as it represents a long-term commitment. An optimum

relationship among output, floor area and manufacturing process shall be provided by an
ideal plan layout design. The plant layout facilitates the production process and thus it
minimizes the material handling, time and cost, and also it produced an easy production
flow, allowing the flexibility of operations, makes economic use of the building, provides
for employees convenience, safety, comfort at work, maximum exposure to natural light
and ventilation and lastly promotes effective utilization of manpower. The plant layout
plays an important role as it also will affects the flow of material and processes, labour
efficiency, supervision and control, use of space and expansion possibilities etc. An
efficient plant layout is one that can be instrumental in achieving the following objectives:
a. Proper and efficient utilization of available floor space

b. Improve productivity
c. Provide enough production capacity
d. Reduce material handling costs
e. Reduce plant accidents and hazards to personnel
f. Utilise labour efficiently
g. Increase employee morale
h. Provide for volume and product flexibility
i. Allow ease of supervision, control and maintenance
j. Allow high machine or equipment utilization
This layout can play an important part in determining construction and manufacturing
costs, and thus must be planned carefully with attention being given to future problems
that may arise. Thus the economic construction and efficient operation of a process unit
will depend on how well the plant and equipment specified on the process flow sheet is
laid out. The principal factors that are considered are listed below:
i. Economic considerations: construction and operating costs

ii. Process and waste disposal requirements
iii. Convenience of operation and maintenance
iv. Health and Safety considerations
v. Future plant expansion
vi. Modular construction
36
3.3.6 Transportation
In the United States during the 1980s, surveillance by the National Institute for
Occupational Safety and Health (NIOSH) revealed that transportation and materials
moving occupations are in high-risk groups for occupational injury fatality.
The statement from NIOSH proves that transportation plays vital role in the
preserving occupational safety. There are two mode of transportation. Road transportation
and shipping are the two mode of transport involved in this process. As an example, the
raw material of which crude glycerol can be obtain from local market. This crude glycerol
is an example of transportation medium via road. The product which is 1,3-propanediol is
being transported via road for market demand around Malaysia and will be via shipping
for global market. The transportation using both road and shipping must be taken extra
care of the material being transported, as such by labelling properly on the properties of
the material of the respective component. This method will make the workers be more
careful and stay alert in handling the substance according to the label.
3.4 Identification of Any Requirement/Compliance by Local Safety Regulations and

Design Guidelines
When developing new plant, it is at utmost importance to keep the compliance of

the local safety and environmental regulations in order to ensure safe workplace and to
prevent from any accidents or any environmental pollution that can adversely affect the
whole plant operation as well as the surroundings. The following are the local regulations
and acts that are related to chemical processing industry.
3.4.1 Occupational Safety and Health Act (OSHA) 1994
The Occupational Safety and Health Act 1994 is a piece of Malaysian legislation,
whichgazetted on 25 February 1994 by the Malaysian Parliament.
The principle of the Act is "To make further provision for securing that safety,
health and welfare of persons at work, for protecting others against risks to safety or health
in connection with the activities of persons at work, to establish the National Council for
Occupational Safety and Health and for matters connected therewith."
The Act applies throughout Malaysia to the industries specified in the First
Schedule. Nothing in this act shall apply to work aboard ships governed by the Merchant
37
Shipping Ordinance 1952, the Merchant Shipping Ordinance 1960 of Sabah or Sarawak
or the armed forces.
The objectives of OSHA 1994 are:
a. To secure the safety, health and welfare of persons at work against risks to safety or
healtharising out of the activities of persons at work
b. To protect persons at a place of work other than persons at work against risks to safety
or health arising out of the activities of persons at work;
c. To promote an occupational environment for persons at work which is adapted to their
physiological and psychological needs;
d. To provide the means whereby the associated occupational safety and health
legislations may progressively replace by a system of regulations and approved
industry codes of practice operating in combination with the provisions of this Act
designed to maintain or improve the standards of safety and health.
Currently, the Occupational Safety and Health Act 1994 is consisting of 15 Parts
containing 67 sections and 3 schedules including no amendment. The structure of OSHA
1994 is:
Part I: Preliminary
Part II: Appointment of Officers
Part III: National Council for Occupational Safety and Health
Part IV: General Duties of Employers and Self-Employed Persons
Part V: General Duties of Designers, Manufacturers and Suppliers
Part VI: General Duties of Employees
Part VII: Safety and Health Organizations
Part VIII: Notification of Accidents, Dangerous Occurrence, Occupational Poisoning
and Occupational Diseases, and Inquiry
Part IX: Prohibition against Use of Plant or Substance
Part X: Industry Codes of Practice
Part XI: Enforcement and Investigation
Part XII: Liability for Offences
Part XIII: Appeals
Part XIV: Regulations
38
Part XV: Miscellaneous
Schedules
3.4.2 Factories and Machinery Act (FMA) 1967
The Factories and Machinery Act was enacted in 1967 as Act 64. It is revised on
1st April 1974 and amended to the Laws of Malaysia Act 139.
Establishment of this act is due to some purposes which are:
To provide control on factories to secure safety, health and welfare of person therein
For the purpose of registration and inspection of machinery and for matters connected
therewith
OSHA 1994 supersedes the FMA 1967 in the event of any conflict
FMA 1967 applies to mainly factories and construction sites
FMA and OSHA enabling act (give power to minister to gazette detail regulations)
Contains some general provision on safety, health and welfare
FMA-limited to manufacturing industry, mining and quarrying and construction
Do not contain detail provisions on specific matters
Factories and Machinery Act 1967 is divided into 6 parts and the arrangement of the
act is as below:
Part 1: Preliminary
Part 2: Safety, health and welfare
Part 3: Persons-in-charge and certificates of competency
Part 4: Notification of accidents, dangerous occurrence and dangerous diseases
Part 5: Notice of occupation of factory and registration and use of machinery
Part 6: General
There are 15 regulations under the Act. The regulations are listed below:
Factories and Machinery (Certificates of Competency Examinations) Regulations,

1970
Factories and Machinery (Electric Passenger and Goods Lift) Regulations, 1970
Factories and Machinery (Fencing of Machinery and Safety) Regulations, 1970
Factories and Machinery (Notification of Fitness and Inspections) Regulations, 1970
39
Factories and Machinery (Person-In-Charge) Regulations, 1970
Factories and Machinery (Safety, Health and Welfare) Regulations, 1970
Factories and Machinery (Steam Boiler and Unfired Pressure Vessel) Regulations,
1970
Factories and Machinery (Administration) Regulations, 1970
Factories and Machinery (Compounding of Offences) Rules,1978
Factories and Machinery (Compounding of Offences) Regulations, 1978
Factories and Machineries (Lead) Regulations, 1984
Factories and Machineries (Asbestos Process) Regulations, 1986
Factories and Machinery (Building Operations and Works of Engineering
Construction) (Safety) Regulations, 1986
Factories and Machinery (Noise Exposure) Regulations, 1989
Factories and Machinery (Mineral Dust) Regulations, 1989
3.4.3 Environmental Quality Act (EQA) 1974
Environmental Quality Act (EQA) is an Act that has been enacted in year 1974 and
it relate to the prevention, abatement, control of pollution and enhancement of the
environment, and for purposes connected therewith. This act has been enacted by the Duli
Yang Maha, Mulia Seri PadukaBaginda Yang di-PertuanAgong with the advice and
consent of the Dewan Negara and Dewan Rakyat in Parliament assembled, and by the
authority of the same, as follows:
Malaysia has had environmentally related legislation since the early 1920s (table
4). However, the legislation is limited in scope and inadequate for handling complex
emerging environmental problems. So through EQA, 1974, a more comprehensive form
of legislation and an agency to control pollution was established.
EQA is an enabling piece of legislation for preventing, abating and controlling

pollution, and enhancing the environment, or for other related purposes. Pollution, as
declared in EQA, includes the direct or indirect alteration of any quality of the environment
or any part of it by means of a positive act or act of omission.
Pollution is controlled through the mechanism of licences issued by the Department

of Environment. The mode of control is by prescribing, by means of a ministerial
regulation, that licences are mandatory for:
40
The use and occupation of prescribed premises;
Discharging or emitting wastes exceeding acceptable conditions into the atmosphere,
as well as noise pollution, polluting or causing the pollution of any soil or surface of
any land;
Emitting, discharging or depositing any wastes or oil, in excess of acceptable
conditions, into inland waters or Malaysian waters.
The provision of "acceptable conditions" is controversial because the polluter is not
liable for prosecution if the discharge are within those acceptable conditions, even if
the effluents are sufficient to severe damage the environment. Most people adversely
affected by pollution do not want to seek legal remedy through common law because
of the prolonged nature of such hearings and the costs incurred.
Currently, 16 sets of regulations and orders are enforced by the Department of
Environment under EQA. Despite government efforts to implement environmental
laws and regulations, it has been found that enforcement measures need to be further
enhanced to ensure the full compliance with laws and regulations.
With regard to monitoring and enforcement, surveillance capability will be
strengthened. The penalty structure related to environment offences will be revised to
ensure a more effective deterrent, especially in the case of repeat offenders. The
enforcement function of agencies such as the Department of Environment, Health
Department, Pesticide Board and local authorities will be rationalized and streamlined,
and adequate training will be provided for their enforcement staff.
Environmental laws and regulations One of the three strategies embodied in EQA,
1974, is for the regulation of pollution. The other two strategies are for preventing and
abating any form of pollution. To bring the law and other environmentally related laws
into effect, the laws and regulations listed below have been introduced and are strictly
enforced by the Department of Environment.
a. Control of agro-based water pollution
Environmental Quality (Licensing) Regulations, 1977

Environmental Quality (Prescribed Premises) (Crude Palm Oil) Order, 1977
Environmental Quality (Prescribed Premises) (Crude Palm Oil) Regulations, 1977,
and (Amendment) 1982
Environmental Quality (Prescribed Premises) (Raw Natural Rubber) Order, 1978
41
Environmental Quality (Prescribed Premises) (Raw Natural Rubber) Regulations,
1978
a. Control of municipal and industrial wastewater pollution
Environmental Quality (Sewage and Industrial Effluents) Regulations, 1979
Environmental Quality (Prohibition on the Use of Controlled Substance in Soap,
Synthetic Detergent and Other Cleaning Agents) Order, 1995
b. Control of industrial emissions
Environmental Quality (Clean Air) Regulations, 1978
Environmental Quality (Compounding of Offenses) Rules, 1978
c. Control of motor vehicle emissions
Motor Vehicles (Control of Smoke and Gas Emission) Rules, 1977 (made under
the Road Traffic Ordinance of 1958)
Environmental Quality (Control of Lead Concentration in Motor Gasoline)
Regulations, 1985
Environmental Quality (Motor Vehicle Noise) Regulations, 1987
d. Control of toxic and hazardous waste management
Environmental Quality (Scheduled Wastes) Regulations, 1989
Environmental Quality (Prescribed Premises) (Scheduled Wastes Treatment and
Disposal Facilities) Order, 1989
Environmental Quality (Prescribed Premises) (Scheduled Wastes Treatment and
Disposal Facilities) Regulations, 1989
Promotion of Investments (Promoted Activities and Products) (Amendment) (No.
10) Order, 1990 (made under the Promotion of Investments Act, 1986)
42
3.4.4 Process Safety Management (PSM) Standards
PSM standard emphasized the management of hazards associated with highly

hazardous chemicals and established a comprehensive management program that
integrated technologies, procedures, and management practices.
Preventing unwanted releases of hazardous chemicals especially into locations that
could expose employees and others to serious hazards are one of the major objective
of process safety management (PSM) of highly hazardous chemicals. An utterly
effective Process Safety Management program requires a systematic approach to
evaluating the completely chemical process. Using this approach, the process
technology, process changes, process design, operational and maintenance activities
and procedures, no routine activities and procedures, emergency preparedness plans
and procedures, training programs, and other elements that affect the process are all
considered in the evaluation.
Process safety management acts as a proactive identification guideline, evaluation and
mitigation or prevention of chemical releases that could occur as a result of failures in
processes, procedures, or equipment.
The Process Safety Management standard targets highly hazardous chemicals that have
the potential to cause a massive catastrophic incident. The primary purpose of the
standard as a whole is to be able to guide and aid employers in their efforts to prevent
or mitigate episodic chemical releases that eventually could lead to a catastrophe
incident in the workplace and may also possibly involves the surrounding community.
To contain these harzadous types of hazards, employers are in the very need to develop
the necessary expertise, experience, acute and sharp judgment, and initiative within
their work force to properly implement and maintain an effective Process Safety
Management program as envisioned in the Occupational Safety and Health
Administration (OSHA) standard.
The Process Safety Management program is divided into 14 elements. The U.S.
Occupational Safety and Health Administration (OSHA) 1910.119 define all 14
elements of Process Safety Management plan.
Process Safety Information
Process Hazard Analysis
Operating Procedures
Training
43
Contractors
Mechanical Integrity
Hot Work
Management of Change
Incident Investigation
Compliance Audits
Trade Secrets
Employee Participation
Pre-startup Safety Review
Emergency Planning and Response
All of those elements mentioned above are interlinked and interdependent. There is a
tremendous interdependency of the various elements of PSM. All elements are related and
are necessary to make up the entire PSM picture. Every element either contributes
information to other elements for the completion or utilizes information from other
elements in order to be completed.
PSM standards must be comply on process plant based on certain conditions of the
plants. A process includes any group of vessels which are interconnected or separate and
contain Highly Hazardous Chemicals (HHC's) which could be involved in a potential
release. A process safety incident is the "Unexpected release of toxic, reactive, or
flammable liquids and gases in processes involving highly hazardous chemicals. Incidents
continue to occur in various industries that use highly hazardous chemicals which exhibit
toxic, reactive, flammable, or even explosive properties, or may exhibit a combination of
these properties. Regardless of the industry that uses these highly hazardous chemicals,
there is a potential for an accidental release any time they are not properly controlled. This,
in turn, creates the possibility of disaster. To help assure safe and healthy workplaces,
OSHA has issued the Process Safety Management of Highly Hazardous Chemicals
regulation (Title 29 of CFR Section 1910.119) which contains requirements for the
management of hazards associated with processes using highly hazardous chemicals.
Any facility that stores or uses a defined "highly hazardous chemical" must comply
with OSHA's process safety management (PSM) regulations as well as the quite similar
United States Environmental Protection Agency (EPA) Risk management program (RMP)
44
regulations. The EPA has published a model RMP plan for an ammonia refrigeration
facility which provides excellent guidance on how to comply with either OSHA's PSM
regulations or the EPA's RMP regulations.
The Center for Chemical Process Safety (CCPS) of the American Institute of Chemical
Engineers (AIChE) has published a widely used book that explains various methods for
identifying hazards in industrial facilities and quantifying their potential severity.
Appendix D of the OSHA's PSM regulations endorses the use of the methods explained in
that book. AIChE publishes additional guidelines for process safety documentation,
implementing Process Safety Management systems and the Center for Chemical Process
Safety publishes an engineering design for process safety.
45
CHAPTER 4: CONCEPTUAL DESIGN ANALYSIS
The conceptual design analysis is based on the the Onion model as shown in Figure
4.1. Process design starts at the center of the onion and extends outward from reactor
further to separation and recycle, heat exchanger network as well and lastly utilities. The
design shall began at the heart of the chemical process which is the reactor system.
FIGURE 4.1 The Onion Model
4.1 Priliminary Reactor Optimization
4.1.1 Selection of Reaction Pathway
The general advantages and disadvantages of each of the reaction pathway are shown in
Table 4.1. Economic potential is calculated in Economic Evaluation as shown in Table 4.2.
TABLE 4.1 Comparison of the pros and cons of each reaction pathway
Reaction path Advantages Disadvantages
Selective i) High yield (approx 0.67 i) High raw material cost from
dehyroxylation mol/mol) and productivity tosyl chloride (RM 12.4/ kg)
ii) Separation of products is ii) Low supply of tosyl chloride
easier with less by-products (Wang et al., 2003)
(Wang et al., 2003)
Catalytic i) High productivity and ease i) Lower yield with inexpensive
hydrogenolysis of operation in continuous catalysts (approx. 4% - 66%)
mode ii) High cost of platinum
catalysts
46
iii) Separation of products is
difficult with different by-
products
Fermentation i) Higher yield (depending on i) Operation is more complicated

culture condition and bacteria) in batch/ fed-batch mode
ii) Environmentally friendly ii) Low productivity
iii) Less energy consumption iii) Separation of products is
iv) Costs of bacteria and difficult with different by-
medium are cheaper than products
platinum catalysts
Table 4.2 shows the price of raw materials and products purchased in bulk quantity taken
from then Chinese e-commerce company website Alibaba.com. Prices and specification
of chemicals are compared between different companies and the mode prices are taken for
economic potential calculation, as shown in Table 4.3.
TABLE 4.2 Price of raw materials and products

Chemicals Price (RM)/ kg Price (RM)/ mol
Crude glycerol 1.0 0.09
1,3-PDO 25.0 1.83
Tosyl chloride 12.4 2.36
Ethanol 5.0 0.23
2,3-butanediol 200 18
1-propanol 7.0 0.42
2-propanol 6.0 0.36
1,2-PDO 16.0 1.22
Tosylic acid 9.0 1.55
Acetic acid 2.5 0.15
Hydrochloric acid 1.4 0.0504
Hydrogen 1.0 0.002
47
TABLE 4.3 First level of economic potential of reaction pathway
Economic Potential
# CO2, H2, and H2O are not considered
Reaction route 1: Selective dehydroxylation of glycerol
Glycerol + tosyl chloride + hydrogen 1,3-PDO + Tosylic acid +hydrogen chloride
C3H8O3 + C7H7O2SCl + H2 C3H8O2 + C7H8O3S + HCl
Profit = 1.83 + 1.55 + 0.0504 0.09 2.36 = 0.9804
Reaction route 2: Catalytic hydrogolysis of glycerol
Glycerol + hydrogen 1,3-PDO + 1,2-PDO + 1-propanol + 2-propanol + water
C3H8O3 + 1.05 H2 0.69 C3H8O2 (1,3-) + 0.02 C3H8O2 (1,2-) + 0.11C3H8O (1-) + 0.06
C3H8O (2-) + 1.05 H2O + 0.12 C3H8O3
Profit = (0.69)(1.83) + 0.02(1.22) + 0.11(0.42) + 0.06(0.36) (0.88)(0.09) 1.05(0.002)
= 0.4816
Additional cost: Platinum catalysts and Bronsted acid
Reaction route 3: Fermentation of glycerol

Glycerol 0.61 1,3-PDO + 0.11 Acetic acid + 0.13 Ethanol + 0.05 2,3-BDO + CO2+
H2 + H2O
Profit = 0.61(1.83) + 0.11(0.15) + 0.13(0.23) + 0.05(18) 0.09 = 1.97
Additional cost: Strain and medium
Based on Table 4.1 and Table 4.2, fermentation is chosen as the reaction pathway to
produce 1,3-PDO.
48
4.1.2 Selection of Microorganism Strain
It was found out that a number of microorganisms, including genera Klebsiella,

Clostridia, Citrobacter, Enterobacter and Lactobacilli, can produce 1,3-PDO as the main
fermentation product with glycerol as the sole carbon and energy sources (Drodyska et
al., 2011, Dobson et al., 2012). Drodyska et al. (2011) reported that two most common
and potential industrial producers of 1,3-PDO are from the family of Clostridia and
Enterobacteriaceae and the productivity of 1,3-PDO by these bacteria is compared in Table
4.4.
TABLE 4.4 Comparison of Costridium and Enterobacteriaceae on 1,3-PDO productivity

Clostridium Enterobacteriaceae
Risk Class 1 (GRASS) Risk Class 2 (Potentially pathogenic)
Strictly anaerobic, difficult in handling Facultative anaerobic (aerobic and
anaerobic), easy handling
Spore forming No sporulation
Main by-products: acetic acid, butyric acid Main by-products: ethanol, acetic acid
Clostridium butyricum Klebsiella pneumoniae
Strain Yield Concentration Productivity Reference
mol/mol g/L g/L h
Klebsiella 0.61 75 2.2 (Liu et al.,
pneumoniae 2007)
Klebsiella 0.70 70 0.97 (Ji et al., 2009)
pneumoniae
Klebsiella 0.54 59.50 1.57 (Chen et al.,
pneumoniae 2003)
Clostridium 0.53 37.20 1.33 (Szymanowska-
butyricum Powaowska
and Biaas,
2014)
Clostridium 0.66 38.2 1.12 (Szymanowska-
butyricum Powaowska
and Orczyk,
2014)
Based Table 4.4, it can be concluded that Klebsiella pneumoniae has the higher conversion
rate of glycerol into 1,3-propanediol and carbon recovery compared to Clostridium
butyricum.
49
4.1.3 General Process Description
There are two reactions take place in this plant which are neutralization and fermentation.
Table 4.5 shows the process condition, conversion and reactor model for neutralization
reaction. Figure 4.2 illustrate the the schematic diagram of the neutralizer.
i) Neutralization
The purpose of neutralization is to convert fatty acid sodium salt which can result in
foaming at high-temperature process condition into inorganic salt and fatty acid.
3 Sodium oleate + Phosphoric acid Sodium phosphate + 3 Oleic acid
Phosphoric acid is chosen over sulfuric acid and hydrochloric acid because it has lower
acidity and forms insoluble phosphate salts (Lourenco et al., 2012). Neutralizing soap with
hydrochloric acid produces soluble and corrosive sodium chloride salts and is normally
avoided by industries.
LIQUID Phase
LIQUID +
Phosphoric acid
LIQUID + SOLID Phase
SOLID Phase
Glycerol
Glycerol Water
Water Ash
Ash Methanol
Methanol Oleic acid
Oleic acid Methyl oleate
Methyl oleate Sodium phosphate
Sodium oleate Phosphoric acid
FIGURE 4.2 Schematic diagram of neutralizer
Information
Temperature 35 oC 42 oC
Pressure 1 atm
Phase present Liquid and solid
Process operating condition Adiabatic
Conversion 100% based on limiting sodium oleate
Reactor model Continuous stirred tank reactor
50
ii. Fermentation of glycerol
The chosen reaction pathway is fermentation of glycerol with microorganism

strains because of the advantages stated in the Session 2.3.4 and also higher economic
potential in the Session 4.3 Economic Evaluation. Meanwhile, Klebsiealla pneumoniae is
decided to be used as the strain for this fermentation.
For Klebsiella pneumoniae cultivated under anaerobic conditions at 37oC and pH

7.0, the governing equations for a two-stage fermentation process are shown below:
= ( )
= D(0 )
= D

= D

= D

= D

Nomenclature
X = biomass concentration g/l
= specific growth rate (h-1)
D = dilution rate (h-1)
Cs = Substrate concentration
qs = Specific rates of substrate uptake
CPD = concentration of 1,3-PDO
CHAC = concentration of acetic acid
CEtOH = concentration of ethanol
CBD = concentration of 2,3-BDO
For the above-mentioned equations, the specific growth rate has to be determined from the
experiment and is affected by some factors such as types and concentration of cultivation
medium. As a matter of fact that the specific growth rate can hardly be found in the
51
published journals, the reactor in this project is modelled by the data taken from Liu et al.
(2007), as shown in Table 4.6.
TABLE 4.6 Comparison of yields of 1,3-PDO and byproducts and productivities

Condition Anaerobic, 37oC, pH 7, glyceol conc. 15 25 g/l, 120 rpm stirrer speed,
1 m3 bioreactor, 34 hours of fermentation time [Yield in mole]
Glycerol 1,3-PDO Ethanol Acetic acid 2,3-BDO Productivities
consumed (g/l) (g/l) (g/l) (g/l) (g/l.h)
(g/l)
127 75 9.9 11 7.5 2.2
[0.61] [0.11] [0.13] [0.05]
Assumption is made such that the carbon recovery of glycerol is 95 % and the remaining
glycerol is converted in biomass.
Reaction equation:
Glycerol 0.61 1,3-PDO + 0.11 Acetic acid + 0.13 Ethanol + 0.05 2,3-BDO + 0.49 CO2+
0.35 H2 + 0.35 H2O
Glycerol + salt Biomass + 0.483 water
The molecular weight of combined medium salts and biomass are calculated to be 94.84
g/ mol and 178.20 g/ mol.
52
4.1.4 Selection of Operation Mode and Fermenter
Bioreactors can be classified into batch, fed-batch and continuous operation mode
according to the operation mode substrate and product feeding. The characteristic features
of each of these bioreactors are shown in Table 4.7.
In fermentation, high concentration of glycerol inhibits the growth of bacteria and

thus results in the low productivity of 1,3-PDO. Therefore, glycerol must be added to the
fermenter throughout the fermentation to maintain its concentration between 15 g/L and
25 g/L (Liu et al., 2007). It is assumed that the fermentation is allowed to proceed for 34
hours for complete fermentation with all glycerol being consumed. After fermentation has
completed the products are sent for continuous purification. To achieve this purpose, fed-
batch bioreactor is chosen. Other advantages of choosing fed-batch reactor are:
i) Concentration of nutrients that affect the yield or productivity of the desired metabolites
can be controlled. Tighter control of various cellular processes is available.The addition
of nutrients can be also be terminated in fed-batch operation mode in order to use up the
remaining nutrients in the culture at the end of fermentation.
ii) Control over the production of products and byproducts or catabolite repression effects
by limiting the substrate to the fermenter.
TABLE 4.7 Characteristic features of various operation mode of fermenter

Characteristic Batch Fed-batch CSTR
features
Flow condition Batch Batch/ continuous Continuous
Infow of feed and No Yes Yes
cells
Outflow of products No Yes Yes
Outflow of cells No Yes Yes
Ideal/non-ideal Ideal Non-ideal Ideal
Steady/unsteady Unsteady Unsteady Steady
Maintenance of pH Difficult Easy Easy
Application Very much used for Extensively used Extensively used
small batches
53
Advantages i) Reduced risk of i) Provision of i) More consistent
contamination or optimum & accurate kinetic
cell mutation environmental constants,
ii) Lower capital conditions of the maintenance energy
investment microorganisms & true growth yield
iii) Higher raw ii)Nearly stationary ii) Higher degree of
material conversion operation control than a batch
levels iii) Higher yield culture
iii) Cost-effective
iv) Less sensitive to
human error
Disadvantages i) Low productivity i) Low productivity i) Increased risk of
due to downtime due to the downtime contamination
ii) Higher costs for ii) Higher costs in ii) The original
labor and/or process labor and/or product strain could
control dynamic process be lost if being
iii) Increased risks control overtaken by
of contact wth another
pathogenic
microorganisms
There various types of bioreactors used in bioprocess technology. Example of type of

bioreactors used in industry are:
1. Continuous Stirred Tank Bioreactors

2. Bubble Column Bioreactors
3. Airlift Bioreactors
4. Fluidized Bed Bioreactors
5. Packed Bed Bioreactors
6. Photo-Bioreactors
The advantages and disadvantages of the bioreactors are shown in Table 4.8.
54
TABLE 4.8 General advantages and disadvantages of different kind of bioreactors
Type of Advantages Disadvantages
bioreactor
Continuous 1. Continuous operation 1. The need for shaft seals and
stirred tank 2. Good temperature control bearings.
bioreactors 3. Easily adapts to two phase runs 2. Size limitation by motor size,
4. Good control shaft length and weight
5. Simplicity of construction
6. Low operating (labour) cost
7. Easy to clean
Bubble 1. efficient contact between the 1. considerable degree of back

column phases mixing in both the liquid and
bioreactors 2. high liquid holds up, the gas phase
recommended for reactions 2. short gas phase residence time
taking place in the liquid phase 3. higher pressure drop with
3. reasonable inter-phase mass respect to packed columns
transfer rates at low energy 4. rapid decreasing of interfacial
input area due to the increased rate of
4. easy temperature control coalescence
5. little maintenance due to the
simple construction
6. low costs of construction and
operation
Airlift 1. Simple design with no moving 1. Greater air throughput and

bioreactors parts or agitator for less higher pressures
maintenance, less risk of 2. Inefficient break the foam
defects. when foaming occurs
55
2. Easier sterilization 3. No bubbles breaker
3. Low Energy requirement
4. Greater heat-removal vs stirred
tank
5. Very low cost
Fluidized 1. Uniform particle mixing. 1. Increased reactor vessel size

bed 2. Uniform temperature gradients 2. Pumping requirements and
bioreactors 3. Ability to operate reactor in pressure drop
continuous state 3. Particle entrainment
4. Lack of current understanding
5. Erosion of internal components
6. Pressure loss scenarios
Packed bed 1. Higher conversion per unit 1. Undesired heat gradients
bioreactors mass of catalyst than other 2. Poor temperature control
catalytic reactors 3. Difficult to clean
2. Low operating cost 4. Difficult to replace catalyst
3. Continuous operation 5. Undesirable side reactions
4. No moving parts to wear out
5. Catalyst stays in the reactor
6. Reaction mixture/catalyst
separation is easy
7. Design is simple
8. Effective at high temperatures
and pressures
Photo- 1. Cultivation is in controlled 1. Capital cost is very high

bioreactors circumstances 2. The productivity and
2. Large surface-to-volume ratio production cost are not much
3. Better control of gas transfer better than those achievable in
4. Reduction in evaporation of open-pond cultures.
growth medium. 3. The technical difficulty in
5. More uniform temperature. sterilizing
56
6. Better protection from outside
contamination.
7. Space saving Can be mounted
vertically, horizontally or at an
angle, indoors or outdoors.
8. Reduced Fouling Recently
available tube self-cleaning
mechanisms can dramatically
reduce fouling
Fed-batch 1. Extension of working of 1. Previous analysis of the

reactor working time allows high cell microorganisms is required
density production 2. Possible accumulation of toxins
2. Provision of controlled
conditions in the provision of
substrates during the
fermentation
3. Provision of control over the
production of by-products or
catabolite repression effects
4. Replacement of water loss by
evaporation is possible
5. Increase of antibiotic marked
plasmid stability by providing
the correspondent antibiotic
during the time span of the
fermentation
57
After considering 7 types typical of bioreactor used in bioprocess industry, we can
conclude that fed-batch reactor is the most suitable reactor to be utilized in this plant. Table
4.9 shows the process condition, conversion and reactor model for fermentation. Figure
4.3 illustrate the the schematic diagram of the production fermenter.
LIQUID +
SOLID + VAPOR
Phase
LIQUID +
SOLID Phase Water
1,3-PDO
Glycerol Ethanol
Water Acetic acid
Media 2,3-BDO
Sodium oleate CO2
H2
Biomass
Medium salts
FIGURE 4.3 Shematic diagram of production fermenter
Information
Temperature 37 oC
Pressure 1 atm
Phase present Solid, Liquid and Vapor
Process operating condition Isothermal
Conversion 100% based on Glycerol
Reactor model Fed batch operation/ fed-batch reactor
58
4.2 Process Screening
4.2.1 Separation Method and Train Sequence
It is essential to sequence the best separation train to optimize the overall

profitability, plant efficiency and simplicity of the purification process. Three three
primary objectives of separation are to purify a reactor feed, recover unreacted species for
recycle, separate and purify the desired end-product. The composition of the fermentation
liquor in the fermenter at the end of complete fermentation is shown in Table 4.10.
Biomass and medium salt is assumed to be removed.
TABLE 4.10 Composition of fermentation liquors after complete fermentation

Chemicals Composition (wt/wt)
1,3-propanediol 0.0714
Water 0.8533
Ethanol 0.0092
Acetic acid 0.0102
2,3-butanediol 0.0069
Biochemical route of 1,3-PDO production in industrial scale is limited by the

complicityof 1,3-PDO purification from the fermentation liquors. This is because 1,3-PDO
has high boiling point (approx. 213oC), less volatility and high hydrophilicity. A various
kind of separation methods of 1,3-propanediol is shown in Table 4.11. Among these
separation techniques, distillation though having large energy consumption allows the best
product recovery and high purities even in a low concentrated feeds. In addition, compared
to new novel methods, conventional distillation is well studied, easy to scale up, potential
for optimizations and available to be simulated with computer-aided simulation software.
In light of the fact that solvent extraction is limited by the low distribution coefficient of
1,3-PDO and reactive extraction is challenged by the additional need of 1,3-PDO
regeneration step and relative complexity of the procedure, conventional distillation is
chosen as the separation technique in downstream processing of the fermentation broth.
59
TABLE 4.11 Separation methods of 1,3-propanediol (Xiu and Zeng, 2008)
Unit operation Application Drawbacks
Evaporation/ Large amount of water is removed first Large amount of energy
distillation by evaporation, followed by final consumption
purication by distillation.
Liquid-liquid 1,3-PDO is partitioned into the solvent No effective extractant has
extraction phase only when adding a large amount been found so far. Low
of solvent partition coefficients (low
yield) due to hydrophilicity
of 1,3-PDO.
Reactive 1,3-PDO reacts with solvent to form Relatively complicated.
extraction and dioxolane derivative. The intermediate Trace amount of solvent
distillation is extracted into an organic solvent and such as aldehyde in 1,3-
finally hydrolyzed into 1,3-PDO by PDO is prohibitive for
reactive distillation with catalysts. polymerization of PTT
Removal of biomass, inorganic salts (from glycerol and nutrients), proteins,

coloured impurities and other soluble or insoluble solid particles can be removed by the
following method before the distillaton steps, as shown in Table 4.12.
TABLE 4.12 Purification of 1,3-PDO (Adkesion et al., 2011, Roturier et al., 2002)
Separation process Technology Separated chemicals
Membrane separation Microfiltration Biomass
Ultrafiltration Compound with molecular
weight > 5000 Daltons
Nanofiltration High molecular weight
sugars and salts
Adsorption Activated carbon Coloured impurities
adsorption
Ion-exchange Strong acid cation Positive ions
chromatography exchange resin
Weak base anion Negative ions
exchange resin
60
Sequencing of ordinary distillation columns for 99 wt% pure of 1,3-PDO is based one of
the following heuristics:
i) Removal of thermally unstable, corrosive or chemically reactive components first

ii) Removal of components one by one in the order of increasing boiling points
iii) Removal of components in the trend of decreasing molar percentage
iv) Removal of components in the trend of decreasing relative volatility
v) Removal of components which favors near equimolar amount of top and bottom flow
There are in total five main components that we wish to separate from the fermentation
broth , as shown in Table 4.13 with their respective flow rate, normal boiling point, vapor
pressure and relative volatility. The normal boiling point and vapor pressure are obtained
from Perrys Chemical Engineering Handbook 8th Edition (Green, 2008) and other sources
if the data are not available in the handbook.
TABLE 4.13 Data for a mixture of fermentation to be separated

Component Normal Vapor
boiling pressure
point (kPa) [25 oC]
o
( C)
Ethanol 78.4 7.92
Water 100 3.17
Acetic acid 118 2.08
2,3-BDO 184 0.032
1,3-PDO 214 0.0059
However, considering that mass composition of water in the fermentation broth must be
lesser than 25%, ethanol must be distillate first followed by evaporation of water.
Therefore, there are remaining four components left to be separated and the data is shown
in Table 4.6 with new flowrate. The number of possible sequence is computed by using
the following equation
[2(1)]!
Ns = ; P is the number of components to be separated
!(1)!
Let P = 5, Ns = 14 and the number of separator = 3
61
The best distillation sequence can be determined quantitatively from the minimum
vapor flow up the columns. Annualized cost of a distillation column is proportional to the
follwing elements as shown in Table 4.14. It can be concluded that vapor rate is
proportional to all of the above.Therefore, vapor flow rate is a good indicator of both
capital and operaing costs for distillation columns. As a results, sequences with the lowest
vapor flow has the lowest annualized cost.
TABLE 4.14 Elements included in the annualized cost of a distillation column

Capital cost Operating cost
Reboiler area Reboiler duty
Condenser area Condenser duty
Diameter of column
Assume the recoveries of each product is 100% and the feed is at saturated liquid.
The concept of the separation is shown in Figure 4.4.
Water
100%
Acetic acid
Feed (saturated liquid) 100%
Ethanol
Species Kgmole/h 100%
2,3-BDO
Ethanol (A)
100%
Water (B)
Acetic acid (C) 1,3-PDO
2,3-BDO (D) 100%
1,3-PDO (E) FIGURE 4.4 Mass balance of the separation process
Table 4.15 shows the candidate sequences for separating the mixtures. The number of
columns required is 3 and the number of sequences is 5.
TABLE 4.15 Candidate sequences of distillation columns

Sequence C-1 C-2 C-3 C-4
1 A/BCDE B/CDE C/DE D/E
2 A/BCDE BC/DE B/C D/E
3 A/BCDE BC/DE B/C D/E
4 A/BCDE BCD/E B/CD C/D
5 A/BCDE BCD/E BC/D B/C
6 AB/CDE A/B C/DE D/E
62
7 AB/CDE A/B CD/E C/D
8 ABC/DE A/BC B/C D/E
9 ABC/DE AB/C A/B D/E
10 ABCD/E A/BCD B/CD C/D
11 ABCD/E A/BCD BC/D B/C
12 ABCD/E AB/CD A/B C/D
13 ABCD/E ABC/D A/BC B/C
14 ABCD/E ABC/D AB/C A/B
The distillation sequence is decided to be the following, as in Figure 4.5. First the
ethanol is removed by distillation. Then large amount of water is evaporated before water
is sent for distillation. Due to the small difference between the boiling points of acetic acid
and water as well as significant solubility of acetic acid in water, acetic acid is removed
together with the water in a distillation column. Meanwhile, 2,3-BDO has a boiling point
close to 1,3-PDO and therefore, it is separated with two distillation columns in order to
recover some amount of 1,3-PDO lost in the first column.
Ethanol
Water
Acetic acid
2,3-BDO
1,3-PDO
FIGURE 4.5 Distillation column sequencing
63
4.2.2 Process Block Diagram and Manual Mass Balance
Manual mass balance (TABLE 4.17 ) is done according to the process block diagram and assumption made as shown in Figure 4.6 and Table 4.16.
FIGURE 4.6 Process block diagram of 1,3-PDO production plant
64
TABLE 4.16 Assumption made for reactor, flash drum and distillation column
Equipment Assumption
Neutralizer Base component: sodium oleate
Conversion: 100 %; phosphoric acid in 1.1 mol in excess
Production Base component: glycerol
fermenter Reaction 1 (1,3-PDO nad by-product formation) conversion: 95 %
Reaction 2 (Biomass formation) conversion: 5 %
Evaporator Separation percentage of
i) glycerol: 1 %; ii) methanol: 98 %; iii) Water: 85 %
Distillation Light key component: methanol
column 1 Heavy key component: water
Recovery of light key in the top: 99 %
Recovery of heavy key in the bottom: 99 %
Distillation Light key component: water
column 2 Heavy key component: glycerol
Recovery of light key in the top: 100 %
Recovery of heavy key in the bottom: 100%
Decanter Separation percentage of fatty acid & alkyl ester: 100%
Glycerol lost: 1%
Distillation Light key component: ethanol
column 3 Heavy key component: methanol
Recovery of light key component in the top: 100 %
Recovery of heavy key component in the bottom: 50 %
Evaporator 2 Separation percentage of
i) Water: 70 %; ii) Methanol: 100 %
Distillation Light key component: water
column 4 Heavy key component: 2,3-butanediol
Recovery of light key component in the top: 100%
Recovery of heavy key component in the bottom: 100%
Distillation Light key component: 2,3-butanediol
Column Heavy key component: 1,3-butanediol
Recovery of light key component in the top: 99%
Recovery of heavy key component in the bottom: 99%
65
TABLE 4.17 Manual Mass Balance
Stream no 1 2 3 4 6 11 7 8 9 10 12
Total flow
10000.0 35.4 10035.4 9755.4 3238.8 6516.6 1587.7 1651.1 1597.9 58.5 931.0
(kg/h)
Component mass fraction
Glycerol 0.5320 0.0000 0.5301 0.5453 0.0164 0.8082 0.0000 0.0322 0.0000 1.0000 0.0565
1,3-PDO 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Ethanol 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Acetic acid 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
2,3-BDO 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Water 0.1880 0.0000 0.1873 0.1927 0.4934 0.0433 0.0101 0.9582 0.9901 0.0000 0.0000
Carbon
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
dioxide 0.0000
Hydrogen 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Methanol 0.1620 0.0000 0.1614 0.1661 0.4902 0.0050 0.9899 0.0096 0.0099 0.0000 0.0000
Methyl
0.0300 0.0000 0.0299 0.0000 0.0460 0.0000 0.0000 0.0000 0.0000 0.3222
oleate 0.0308
Oleic acid 0.0300 0.0000 0.0576 0.0593 0.0000 0.0888 0.0000 0.0000 0.0000 0.0000 0.6212
Phosphoric
0.0000 1.0000 0.0003 0.0000 0.0005 0.0000 0.0000 0.0000 0.0000 0.0000
acid 0.0003
Sodium
0.0300 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
oleate 0.0000
Ash 0.0280 0.0000 0.0279 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Sodium
0.0000 0.0000 0.0054 0.0055 0.0000 0.0083 0.0000 0.0000 0.0000 0.0000 0.0000
phosphate
Medium 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Biomass 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
66
Stream no 13 14 15 16 17 18 19 20 21 22
Total flow
5585.6 5644.1 5100 26644.9 248.0 32164.6 50000.0 259499.5 2421.0 345768.4
(kg/h)
Glycerol 0.9335 0.9341 0.9341 0.0000 0.0000 0.0000 1.0000 1.0000 0.0000 0.0000
1,3-PDO 0.0000 0.0000 0.0000 0.0000 0.0000 0.0709 0.9341 0.0000 0.0000 0.0713
Ethanol 0.0000 0.0000 0.0000 0.0000 0.0000 0.0092 0.0000 0.0000 0.0000 0.0092
Acetic acid 0.0000 0.0000 0.0000 0.0000 0.0000 0.0101 0.0000 0.0000 0.0000 0.0101
2,3-BDO 0.0000 0.0000 0.0000 0.0000 0.0000 0.0069 0.0000 0.0000 0.0000 0.0069
Water 0.0505 0.0500 0.0500 1.0000 0.0000 0.8520 0.0000 0.0000 0.0000 0.8513
Carbon
dioxide 0.0000 0.0000 0.0000 0.0000 0.0000 0.0329 0.0500 1.0000 0.0000 0.0331
Hydrogen 0.0000 0.0000 0.0000 0.0000 0.0000 0.0011 0.0000 0.0000 0.0000 0.0011
Methanol 0.0058 0.0057 0.0057 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 0.0009
Methyl
oleate 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0057 0.0000 0.0000 0.0000
Oleic acid 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Phosphoric
acid 0.0006 0.0006 0.0006 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0001
Sodium
oleate 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000
Ash 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Sodium
phosphate 0.0096 0.0095 0.0095 0.0000 0.0000 0.0015 0.0000 0.0000 0.0000 0.0015
Medium 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0095 0.0000 1.0000 0.0001
Biomass 0.0000 0.0000 0.0000 0.0000 0.0000 0.0143 0.0000 0.0000 0.0000 0.0144
67
Stream no 23 25 27 28 29 30 31 32 33 35 36 37
Total flow
24697.7 23853.5 23497.8 23206.1 335.8 22870.3 14660.9 8209.4 6278.3 1931 186.6 1744.3
(kg/h)
Component mass fraction
Glycerol 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
1,3-PDO 0.0713 0.0738 0.0749 0.0759 0.0000 0.0770 0.0000 0.2144 0.0000 0.9115 0.0942 0.9990
Ethanol 0.0092 0.0095 0.0097 0.0098 0.6764 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Acetic acid 0.0101 0.0105 0.0107 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
2,3-BDO 0.0069 0.0072 0.0073 0.0074 0.0000 0.0075 0.0000 0.0208 0.0000 0.0885 0.9058 0.0010
Water 0.8513 0.8814 0.8948 0.9060 0.2899 0.9151 0.9992 0.7648 1.0000 0.0000 0.0000 0.0000
Carbon
dioxide 0.0331 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Hydrogen 0.0011 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Methanol 0.0009 0.0009 0.0010 0.0010 0.0337 0.0005 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000
Methyl
oleate 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Oleic acid 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Phosphoric
acid 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Sodium
oleate 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Ash 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Sodium
phosphate 0.0015 0.0016 0.0016 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Medium 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Biomass 0.0144 0.0149 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
68
4.2.3 Aspen HYSYS Simulation Study
Aspen HYSYS version 8.0 is used for process simulation.
Four hypothetical component and one hypothetical solid are defined. Polyalcohol
2,3-butanediol, inorganic sodium oleate soap and sodium phosphate salt and inorganic
phosphoric acid. Ash is defined as hypothetical solid so that it has no effect on the
simulation results.
Fluid package chosen is general Non-Random Two-Liquid Model (NRTL) from

Activity Model Property Package for non-ideal system simulation because it is feasible for
wide boiling point range between components (e.g. methanol and 1,3-PDO with difference
in boiling point of more than 100oC) and provide simultaneous solution for vapor-liquid
equilibrium (VLE) and liquid-liquid equilibrium between components with significant
difference in boiling point and concentration.
Two reaction sets which are neutralization and fermentation reactions are inserted
as conversion reaction in the simulation. It was assumed that in the neutralization reaction
all soap molecules are fully converted to phosphate salts and oleic acid in excess
phosphoric acid. Simulation of fermentation is done in batch and biomass formation
reaction is not taken into account. For both reactions, 100% conversion is set for the base
component of each reaction.
Figure 4.6 shows the HYSYS simulation PFD. A list of major process equipment
with respective operating conditions used in HYSYS simulation is shown in Table 4.18.
TABLE 4.18 Major process equipment

Equipment Equipment Tag Temperature (oC) Pressure (kPa)
Neutralizer R-1 35-41 101.3
Production fermenter R-3 37 101.3
Distillation column T-2 116.9 310.6 180-200
69
FIGURE 4.7 HYSYS Simulation PFD
70
4.2.4 Discussion on HYSYS Simulation
The results of manual mass balance is compared with the results obtained from HYSYS
simulation, as shown in Table 4.19 and Table 4.20.
HYSYS simulation for production fermenter
Production Simulated Calculated Error
fermenter
Input stream
Glycerol 47063.3 46706.2 0.76
Water 259992.2 259499.5 0.19
Product stream
1,3-PDO 24948.8 24644.7 1.22
production
Ethanol 3218.9 3180.0 1.21
Acetic acid 3550.4 3507.3 1.21
2,3-BDO 2422.0 2392.5 1.22
Water 292731.8 294351.7 0.55
Carbon dioxide 11590.5 11447.6 1.23
Hydrogen 379.3 371.7 2.00
It can be seen that the error is less than 5 %.
71
HYSYS simulation for distillation columns
Unit Distillation Distillation Distillation Distillation Distillation
column 1 column 2 column 3 column 4 column 5
Simulated
Light key 99 100 100 100 99
recovery (wt %)
Light key mass 1571.7 1582.0 227.1 6278.3 1742.6
flow (kg/ h)
Heavy key 99 100 50 100 99
recovery (wt%)
Heavy key mass 1582.0 53.2 11.3 170.9 169.2
flow(kg/h)
Calculated
Light key 100 100 98.93 100 98.53
recovery (wt %)
Light key mass 1566.5 1584.2 221.5 6041.9 1747.0
flow (kg/ h)
Heavy key 99.15 100 97.45 99.58 99.29
recovery (wt%)
Heavy key mass 1584.2 62.6 30.6 141.8 140.8
flow(kg/h)
Error (%)
Light key 1.00 0.00 1.08 0 0.48
recovery
Light key mass 0.33 0.14 2.53 3.91 0.25
flow
Heavy key 0.15 0.00 48.69 0.42 0.29
recovery (wt%)
Heavy key mass 0.14 15.00 63.00 20.52 20.17
flow
As can be seen from Table 4.2.4, the recoveries of most of the components do not deviate
much from the manual mass balance based on the assumption made.
72
4.3 Economic Evaluation
As mentioned in the literature review, the global demand of 1,3-PDO in 2014 is

146 kilo tons and by 2020 it will reach approximately 226 kilo tons.
(226146)
Increment of 1,3-PDO in demand per year = = 10 kilo tons/ year
(20202014)
Assume that the plant is oprating at 2018 and the operating life of the plant is 10 years.
Global 1,3-PDO demand in 2028 = 146 kilo tons + 10 (2028-2014) = 286 kilo tons
Market volume share of 1,3-PDO in Asia Pacific (APAC) is around 23% (Transparency
Market Research, 2014).
Therefore, the demand of 1,3-PDO in Asia Pacific by 2028 is expected to be
1,3-PDO demand by 2028 = 286 x 0.25 = 65.78 kilo tons
Consider there are three key producers of 1,3-PDO in Asia Pacific which are SK Chemical
Co in Korea., Ltd Zhangjiangang Glory Biomaterial Co. and Ltd, Zouping Mingxing
Chemical Co., Ltd in China. The maximum production rate of the plant is decided to be
14 kilo tons per year. The assumption is made that the plant is able to operate in 2018 with
an operating life of 10 years. Table 4.21 shows the percentage of supply to demand of 1,3-
PDO for 10 years.
TABLE 4.21 1,3-PDO supply to demand from 2018 to 2028

Year Global 1,3- 1,3-PDO 1,3-PDO 1,3-PDO
PDO demand demand in Asia supply supply to 1,3-
PDO demand
in Asia
kilo tons kilo tons kilo tons %
2018 186 46.5 14 30.1
2020 206 51.5 14 27.2
2022 226 56.5 14 24.8
2024 246 61.5 14 22.8
2026 266 66.5 14 21.1
2028 286 71.5 14 19.6
With 13.5 kilo tons of annual production rate, the chemical plant is still able to supply 20%
1,3-PDO to the market needs of Asia Pacific in the year of 2028.
73
The general and product information of the plant is shown in Table 4.22. The production
and consumption rate of 1,3-PDO and glycerol is taken from HYSYS simulation result.
TABLE 4.22 General information and plant economics

Parameter Information
Plant size location Asia (Malaysia)
Operating day (hour) of the plant 331 (7944)
Operating hour for glycerol purification 5985
Operating factor 0.9068
Total number of batch/ year 187
1,3-PDO production kg/ batch 74846.4
1,3-PDO production kg/ year [metric kilo ton/ year] 14.0 million [14]
Methanol recovery kg/ h 1566.5
Methanol recovery kg/ year [metric kilo ton/ year] 9.376 million [9.376]
Glycerol consumption kg/ batch 165300
Glycerol consumption kg/ year [metric kilo ton/ year] 30.9 million [30.9]
Media consumption kg / batch 8100
Media consumption kg/ year [ metric kilo ton/ year] 1.5 million [1.5]
The price of methanol and culture nutrient media is taken as RM 1.6 per kg and RM 10
per kg and the price of crude glycerol and 1,3-PDO is taken from Table 4.2 .
Annual profit from simple reactant and product calculation

= Annual production of 1,3-PDO (Price of 1,3-PDO) + Annual recover of methanol
(Price of methanol) - Annual consumption of media - Annual consumption of glycerol
(Price of glycerol)
= 13.7 x1 106 (25) + 9.376 x 106 (1.6) 30.9 x 106 (1) 1.5 x 106 (10)
= RM 311.6 million
*Bacteria price is yet to be included in the price calculation
74
CHAPTER 5: HEAT INTEGRATION
5.1 Pinch Analysis
Heat exchanger network is the third layer of the onion model process design hierachy.
Once the material and energy balance are ready the heat exchanger network is designed
and the remaining heating and cooling duties are handled by the utilities system which is
the fourth layer of the model. Pinch analysis is the methodology for heat recovery and with
the help of the First Law and Second Law of Thermodynamics. The objective of the pinch
analysis is to achieve financial savings by optimizing process-to-process heat recovery and
thus reducing the external heating and cooling utility loads. The procedure of pinch
analysis are as follow:
i. Data extraction from streams
ii. Determination of minimum temperature difference
iii. Problem table method
iv. Heat Exchanger Network System
5.1.1 Stream Data Extraction
From the HYSYS simulation diagram, the stream data is presented in Table 5.1. The
heaters and coolers used for the batch simulation of bioreactors are not considered in the
pinch analysis because of the discontinuity of fed-batch operation.
TABLE 5.1 Stream data extracted from process flow diagram

No Equipment no Type Supply Target Heat Enthalpy,
temp temp capacity H (kW)
o
( C) (oC) flow rate,
CP
HYSYS PFD
(kW/oC)
1 HE-1 Q-100 Cold 25 35 8.4 84
2 F-1 V-100 Cold 41.2 155 20.4 2318
3 HE-2 E-100 Hot 155 76 20.8 1641
4 T-1 T-100 Hot 81.2 80.2 1891 1891
Condenser Condenser
5 T-1 T-100 Cold 119.5 120.5 1983 1983
Reboiler Reboiler
6 He-3 E-101 Hot 80.2 30 1.6 82
7 T-2 T-101 Hot 118 117 2927 2927
Condenser Condenser
75
8 T-2 T-101 Cold 309.6 310.6 2931 2931
Reboiler Reboiler
9 HE-4 E-102 Hot 117 30 18.6 1618
10 HE-5 E-103 Hot 310.6 30 0.05 15
11 HE-6 E-104 Hot 155.1 30 4.3 534
12 T-3 T-102 Hot 56.6 55.6 711 711
Condenser Condenser
13 T-3 T-102 Cold 119.9 120.9 2888 2888
Reboiler Reboiler
14 HE-11 E-105 Hot 55.6 30 0.3 8
15 F-2 V-101 Hot 120.9 102 463.1 8752
16 HE-12 E-106 Hot 102 30 145.6 10486
17 T-4 T-103 Hot 118.8 117.8 11413 11413
Condenser Condenser
18 T-4 T-103 Cold 231.4 232.4 11745 11745
Reboiler Reboiler
19 HE-13 E-107 Hot 117.8 30 7.1 620
20 T-5 T-104 Hot 200.2 199.2 814 814
Condenser Condenser
21 T-5 T-104 Cold 232.9 233.9 813 813
Reboiler Reboiler
22 HE-14 E-108 Hot 199.2 30 0.1 15
23 HE-15 E-109 Hot 233.9 30 1.5 313
It was decided later on that distillation column and some coolers and heaters are not
considered in the heat exchange network. Table 5.2 shows the new stream data that is
inserted into HINT for heat integration.
TABLE 5.2 Data for HINT heat integration

(oC) (oC) flow rate,
CP
HYSYS PFD
(kW/oC)
1 HE-1 Q-100 Cold 25 35 8.4 84
2 F-1 V-100 Cold 41.2 155 20.4 2318
3 HE-2 E-100 Hot 155 76 20.8 1641
4 HE-4 E-102 Hot 117 30 18.6 1618
5 HE-15 E-109 Hot 233.9 30 1.5 313
76
5.1.2 Determination of Minimum Temperature Difference
Minimum temperature difference (DTmin) is set at usually between 10-20 oC according to

industrial need and experience; however, for some industries a lower value can be chosen
for pinch analysis. Some example values registered are shown in Table 5.3 (March, 1988).
TABLE 5.3 Typical DTmin values for various types of processes

No Industrial sector DTmin (oC)
1 Oil refining 20-40
2 Petrochemical 10-20
3 Chemical 10-20
4 Low temperature processes 3-5
Thus, in this case a minimum temperature difference of 10 oC is chosen for pinch analysis.
Table 5.4 shows the shifted supply and target temperature of selected streams.
TABLE 5.4 Shifted supply and target temperature of selected streams

o o
( C) ( C) flow rate,
CP
HYSYS PFD
(kW/oC)
1 HE-1 Q-100 Cold 25 35 8.4 84
2 F-1 V-100 Cold 41.2 155 20.4 2318
3 HE-2 E-100 Hot 155 76 20.8 1641
4 He-3 E-101 Hot 80.2 30 1.6 82
5 HE-4 E-102 Hot 117 30 18.6 1618
6 HE-5 E-103 Hot 310.6 30 0.05 15
7 HE-6 E-104 Hot 155.1 30 4.3 534
8 HE-11 E-105 Hot 55.6 30 0.3 8
9 F-2 V-101 Hot 120.9 102 463.1 8752
10 HE-12 E-106 Hot 102 30 145.6 10486
11 HE-13 E-107 Hot 117.8 30 7.1 620
12 HE-14 E-108 Hot 199.2 30 0.1 15
13 HE-15 E-109 Hot 233.9 30 1.5 313
77
5.1.3 Problem Table Algorithm Method and Grand Composite Curve
The problem table method is used to solve for the pinch temperature, minimum heating
and cooling utilities, as shown in Figure 5.1.
FIGURE 5.1 Problem Table Method
The following information can be extracted from the cascade
i. Pinch temperature is 150 oC

ii. Actual hot stream pinch temperature is 155 oC
iii. Actual cold stream pinch temperature is 145 oC
iv. Minimum cooling duty is 1336.57 kW
v. Minimum heating duty is 82.574 kW
The composite and grand composite curve is shown in Figure 5.2 and Figure 5.3,
respectively.
78
( oC )
FIGURE 5.2 Composite curve
79
( oC )
Process-to-process
heat integration
FIGURE 5.3 Grand composite curve
80
5.1.4 Heat Exchanger Network System Design
There are some rules to follow in the design of heat exchanger network system as shown
in Table 5.5. Grid diagram generated by HINT is shown in Figure 5.4.
TABLE 5.5 Rules of the pinch design method

Above the pinch Below the pinch
Heat capacity flow rate CPcold CPhot ; Heat capacity flow rate CPhot CPcold ;
Number of stream Scold Shot Number of stream Shot Scold
Only hot utilities can be placed Only cold utilities can be placed
Do not transfer heat across the pinch
Utilities requirememnt before and after heat integration is shown in Table 5.7. The utility
requirement for all heaters and coolers, distillation columns, and fed-batch operation of
fermenters are shown in Table 5.8. Utility requirement of fed batch fermenter shown here
is the requirement per batch of fermentation.
TABLE 5.7 Utilities requirement before and after heat integration

Type of Utilities requirement Heat Utilities requirement Reduction
utilities before heat integration integrated after heat integration (%)
(kW) (kW) (kW)
Hot 2318 2235.426 82.574 96.44
Cold 3572 2235.43 1336.57 62.85
Therefore, it can be seen that after heat integration heating and cooling duties are reduced
by 96.44 % and 62.85 % respectively. The remaining heat requirement is provided by
cooling and heating utilities.
TABLE 5.8 Utilities requirement for distillation column and fed-batch operation of
reactor
Equipment Heaters and coolers Distillation column Fermenters
Utilities/ Mode Continuous Continuous Fed-batch
Hot (kW) 84 20360 9504576
Cold (kW) 15250 17756 60535202
81
Number of heat exchangers required is 3 units.
FIGURE 5.4 Heat Exchanger Network Design
82
CHAPTER 6: PROCESS FLOWSHEETING
6.1 Process Flowsheeting
The complete A1-size process flow diagram is shown in the Appendix. Figure 6.1 shows the scale-down PFD of the plant.
FIGURE 6.1 Process Flow Diagram
83
Stream S-1 consists of crude glycerol having the above composition is neutralized
by phosphoric acid (in excess) from stream S-2 at 35 C and 101.3 kPa to convert all soaps
to phosphate salts and oleic acid in order to avoid soap foaming at high temperature process
condition. Glycerol is then subjected to microfiltration F-100 to separate the inorganic ash
out before it was sent to an evaporator V-100 for methanol removal. The operating
temperature and pressure of evaporator V-100 are 101.3 kPa and 155 oC. Under this
process condition, more than 99 wt % of methanol can be removed together with water as
vapor in stream 7 with some loss of glycerol. In order to obtain purified methanol, stream
6 enters distillation column T-100 at 200 kPa and 76 oC. The bottom stream S-8 of
distillation column T-100 is sent to the next distillation column T-101 at 200 kPa and 120.5
o
C at for glycerol and water separation. Water is then reused in then fermentation process.
Stream 11 of evaporator E-100 containing glycerol and organic impurities including oleic
acid and methyl oleates settles in decanter PS-100 where 2 layers are formed. The upper
layer methyl oleate and oleic acid are removed whereas the bottom layer rich with glycerol
is stored in tanks. The final glycerol purity is approximately 94 wt %.
Each of the production fermenter is connected to a seed fermenter. Seed

fermentation allows cell reproduction and adaptation of cells to the process environment
and nutrients before transferring the cells to a larger main fermenter where the temperature,
pH, as well as glycerol, nutrient and product concentration are carefully controlled for
optimized production. The volume of seed fermenter is set at approximately 1:10 of the
production fermenter. The working volume of production fermenter is set at 80 % of the
full capacity for safe operation (435 m3). Fermentation time is kept at 34 hour and final
concentration of 1,3-PDO is kept between 70-75 g/L. The fermentation liquor product is
then sent to storage tanks. The fermentation liquor to the continuous 1,3-PDO purification
is set in such the way that the liquor is supplied continuously for purification and complete
purification is done when the next batch product is ready. Therefore, downstream
purification plant can operate continuously instead of shutting the plant down until the
next batch.
Stream 19 having the composition as noted in Table 3 is subjected to microfilter

F-101 where the cellular biomass of organism removed from fermentation broth;
ultrafilter F-102 where molecules having molecular weight greater than 5000 Dalton are
removed and nanofilter F-103 using spiral wound polymeric membrane whereby
molecules having molecular weight greater than 200 Dalton are removed. The filtration
84
process is carried out at condition of 37C and 150kPa. The product from the filtration
process is then flowed to a parallel series of adsorption column A-100 and A-102, strong
ion exchange column I-100 and I-101, strong base ion exchange column I-102 and I-103
for the removal of unreacted glycerol, acetic acid, phosphoric acid and sodium phosphate.
Ethanal and carbon dioxide are removed when the remaining component at stream 20
enters distillation column T-102 at 37C and 200kPa. High amount of water and methanol
in stream 22 is then removed via stream 23 when it enters evaporator E-353 at 120C and
200kPa. The bottom stream 24 of evaporator E-353 then enters to distillation column T-
103 at 102 C and 200kPa where remaining water and methanol in the stream is removed.
Stream 27 then subjected to another distillation column T-104 where high amount of 2,3
butanediol with low amount of water and 1,3 propanediol is removed via stream 28. The
bottom stream 29 containing 1,3 propanediol composition is summarized in Table 4. The
final purity of 1,3 propanediol is approximately 99.9% with the 1,3 propanediol loss in the
purification process is 1.97% whereby 35.06 kg of 1,3 propanediol loss.
85
CONCLUSION
The main objective of this project is to successfully design a large scale plant
which is capable of producing 1,3 propanediol from glycerol. In order to accomplish this
objective, further study and research has been conducted in a team to conceptually
design the plant based on the contents of a core subject in out degree programme which
is Process Plant Design. Firstly, we have to choose whether we are going to produce the
1,3 propanediol with chemical method or bioprocess method. After some researched
done, bioprocess has been chosen and the bacteria that will be used is klebsiella
pneumonia. Then, we approached on choosing the plant location, then followed by the
mass and material balance based on the chosen process. Besides that, the safety and
HAZOP of the plant is studied, then together followed by the economic potential
analysis. Two PFD are constructed in this project.
Upon completion of the project, we have identified that there is no other companies
that produce this product in Malaysia. It has been proven conceptually that the setting up
of a 1,3-Propanediol plant in Malaysia is feasible and crucial in order to avoid the wastage
of cheap and hazardous crude glycerol that is being excessively produced in the biodiesel
plant. From the feasibility research carried out, Gebeng Industrial Park, Pahang is
identified to be the best location for an 1,3-Propanediol production plant. This is due to
the combination of attractive features, incentives and availability of raw material
The research of this project and design of the plant will be further continue in the
Process Plant Design 2 to successfully achieve our objective.
86
RECOMMENDATIONS
The final year design project has been useful in cultivating and enhancing the skills
and knowledge at hand. As final year students, the experience gained throughout the
process of this project has given the opportunity to actually design a real processing plant
that has increase our understanding in the field of chemical engineering. Besides that, other
skills were also developed in the process such as communication skills, management skills
and team work. However, we find that there a few areas that needs improvements. Based
upon completion of this project, there are various recommendation suggested by my group
mates to help to overcome this problem.
Firstly, skills to use the simulation software should be done earlier. Throughout the
first stage of designing the plant, students find it hard to master the skill of using the
simulation software. Students should be exposed and refresh earlier on this, hence to make
the progression of designing faster. In addition, ICON and HYSYS simulation takes a
longer period of time to be completed successfully due to lack of training to the basics of
the software, hence we would like to recommend having a basic training classes to be
conducted before this project takes place. Selection of process route has been restrained
due to lack of expertise in this software.
Besides that, the raw materials price should be standardized. During the early study
of this project, the students found that the price data for the raw materials are hard to find.
As a chemical price depends on the current supply demand, the data extracted usually was
not up to date and unreasonable for future project. Students are unable to assess the data
as most of the updated research papers or journals need to purchase. Besides, students are
also uncertain about the reliability of the prices of the chemicals or materials obtained from
the internet. Hence, standardized value of key elements should be provide at early stage of
planning. Further process screening should be perform. For the continuation of the project,
further process screening should be perform as to make sure that the efficiency of the
process plant is optimum
Last but not least, optimization of the equipment can be done to improve their
production performances. Process equipment such as reactors or distillation column can
be optimized by varying their operating conditions (flow rates, temperature or pressure).
Equipment optimization can help to save the capital cost, energy as well as the utility
cost of the process plant.
87
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91
APPENDICES
92
APPENDICES
Appendix A
Industrial Estate in Pahang State
93
Appendix B
Development of Gebeng Industrial Area
94
Appendix C
Process Flow Diagram Before Heat Integration
95
R-100 F-100 F-101 F-102 F-103 V-100 V-101 PS-100 PS-101 MIX-100 MIX-101 MIX-102 MIX-103 T-100 T-101 T-102 T-103 T-104 NOTES
Phase Phase Distillation Distillation Distillation Distillation Distillation
Neutralizer Microfilter Microfilter Ultrafilter Nanofilter Evaporator Evaporator Mixer Mixer Mixer Mixer
Separator Separator Column Column Column Column Column
S-100 S-101 S-102 PF-100 PF-101 PF-102 A-100 A-101 I-100 - I-101 I-102 - I-103 P-100 - P119 Q-100 - Q-104 E-100 - E-110 STREAM NUMBER
Seed Seed Seed Production Production Production Adsorption Adsorption Strong Acid Strong Base
Pump Heater Cooler
Fermenter Fermenter Fermenter Fermenter Fermenter Fermenter Column Column Ion Exchange Column Ion Exchange Column MAIN INPUT
To Methanol MAIN OUTPUT

7
Storage
E-101
Q-100 6
5
P-100 T-100
From feed
E-100 P-102 9
tank
E-102
8 ST-100 ST-101 ST-102
1 4 11
From H3PO4 2 3
To waste T-101
Tank F-100 Q-101
P-101 treatment
V-100
R-100 10 P-104 P-105 P-106
PS-100
12 E-103
13
E-104 MIX-100
P-103
From Media Q-102

26
Supply
Q-103 MIX-102
ST-104
Q-104
P-119
NO DATE DESCRIPTION
A-100
ST-103 I-100
P-116
I-102
19 F-103 P-114
F-102 P-113
F-101 P-112
S-100 S-101 S-102 P-111 A-101 CCB 4013
To gas PLANT DESIGN PROJECT 1
P-107 P-108 P-109
treatment I-101
MIX-103 I-103 P-115
14
20
23
15 16 E-108 GROUP 2
E-107 P-118
25
To waste Group Members:

21
treatment 24 E-109
E-105 T-103 28
To waste Khoo Tou Seng 17248
treatment Jasvinder Singh 15477
T-102 27 Mohamad Faeezani bin Mohd Faudzi 17362
PF-102 PF-101 PF-100
18 T-104 Nur Hafiza binti Yahya 17691
17 Nur Amirah Hanim binti Rahim 17373
22
P-110 E-110
MIX-101 PS-101 E-106 P-117 To 1,3-PDO
29
V-102 storage
SUPERVISOR
Stream no 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
Vapor Fraction 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0275 0.0278 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0 0.0000 0.0000 0.0000 AP Dr. Suzana Yusup
Temperature (oC) 35.0 25.0 41.1 41.2 155.0 76.1 80.2 120.5 116.9 310.6 155.0 155.0 30.0 37.0 37.0 37.0 37.0 37.0 37.0 37.0 37.0 120.9 102.0 102.0 117.8 30.00567 232.4 199.2 233.9
Pressure (kPa) 101.3 101.3 101.3 195.0 101.3 200.0 181.0 200.0 180.0 200.0 101.3 200.0 200.0 130.0 130.0 101.3 101.3 101.3 101.3 200.0 165.0 200.0 101.3 200.0 185.0 150 200.0 150.0 200.0
Molar Enthalpy (kJ/ kgmole) -375778 -239543 -375526 -383933 -223578 -266213 -233597 -280705 -278084 -595396 -565420 -559823 -587032 -283987 -585617 -290562 -290558 -292326 -292326 -291143 -273374 -284626 -239343 -300232 -277904 -285111 -553097 -1933487 -438003 PROCESS FLOW DIAGRAM
Liquid Volume Flow (m3/h) 9.3 0.020772 9.3 9.1 3.651172 3.7 2.0 1.7 1.6 0.1 5.5 4.4 4.5 260.5 40.3 32.4 348.7 328.8 23.5 23.1 0.4 22.7 14.8 7.9 6.1 22.50475 1.8 0.2 1.6
Mass Flow (kg/h) 10000.0 35.0 10035.0 9706.2 3277.6 3277.6 1580.0 1697.6 1633.0 64.6 6428.6 5503.5 5568.1 260000.0 50000.0 31750.0 341750.0 329341.7 23525.0 23097.2 320.1 22761.1 14802.8 7958.4 6042.5 22478.3 1915.9 167.0 1748.9
Glycerol (kg/h) 5320.0 0.0 5320.0 5293.4 62.6 62.6 0.0 62.6 0.0 62.6 5230.8 5178.4 5241.1 0.0 47063.3 240.0 2365.3 2365.0 168.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
PRODUCTION OF 1,3-PROPANEDIOL PLANT
1,3-PDO (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2298.6 24948.8 24948.6 1782.1 1782.1 0.0 1782.1 9.1 1773.0 0.0 9.1 1773.0 25.9 1747.0
Ethanol (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296.6 3218.9 3134.7 223.9 223.9 221.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Acetic acid (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 327.1 3550.4 3540.4 252.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 DATE: 12th AUGUST 2016
2,3-BDO (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223.1 2422.0 2421.3 173.0 173.0 0.0 173.0 30.6 142.4 0.6 31.2 141.8 140.8 1.0
Water (kg/h) 1880.0 0.0 1880.0 1870.6 1597.7 1597.7 13.5 1584.2 1584.2 0.0 272.9 272.9 272.9 259992.2 2450.8 27212.2 292731.8 292214.0 20873.0 20873.0 67.6 20804.9 14762.7 6042.2 6041.9 22388.9 0.3 0.3 0.0
Carbon dioxide (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1067.8 11590.5 182.8 13.1 13.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 PREPARED CHECKED APPROVED
Hydrogen (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 34.9 379.3 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Methanol (kg/h) 1620.0 0.0 1620.0 1611.9 1566.5 1566.5 1566.5 0.0 0.0 0.0 45.4 45.4 45.4 0.0 407.4 41.6 449.1 440.0 31.4 31.4 30.6 0.3 0.3 0.0 0.0 0.4 0.0 0.0 0.0
Methyl oleate (kg/h) 300.0 0.0 300.0 298.5 0.7 0.7 0.0 0.7 0.0 0.7 297.8 0.0 0.7 0.0 6.4 0.6 7.2 6.9 0.5 0.5 0.0 0.5 0.0 0.5 0.0 0.0 0.5 0.0 0.5
Oleic acid (kg/h) 300.0 0.0 578.3 575.4 0.4 0.4 0.0 0.4 0.0 0.4 575.0 0.0 0.4 0.0 4.0 0.4 4.4 4.3 0.3 0.3 0.0 0.3 0.0 0.3 0.0 0.0 0.3 0.0 0.3
Phosphoric acid (kg/h) 0.0 35.0 2.8 2.8 1.8 1.8 0.0 1.8 1.0 0.8 1.0 1.0 1.8 7.5 16.2 1.7 25.3 25.4 1.8 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0
Sodium oleate (kg/h) 300.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Ash (kg/h) 280.0 0.0 280.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Sodium phosphate (kg/h) 0.0 0.0 53.9 53.6 47.8 47.8 0.0 47.8 47.8 0.0 5.8 5.8 5.8 0.0 52.1 5.3 57.4 57.3 4.1 0.0 0.0 0.0 0.0 0.0 0.0 47.8 0.0 0.0 0.0
Appendix D
Process Flow Diagram After Heat Integration
97
R-100 F-100 F-101 F-102 F-103 V-100 V-101 PS-100 PS-101 MIX-100 MIX-101 MIX-102 MIX-103 T-100 T-101 T-102 T-103 T-104 NOTES
Phase Phase Distillation Distillation Distillation Distillation Distillation
Neutralizer Microfilter Microfilter Ultrafilter Nanofilter Evaporator Evaporator Mixer Mixer Mixer Mixer
Separator Separator Column Column Column Column Column
S-100 S-101 S-102 PR-100 PR-101 PR-102 A-100 - A-101 I-100 - I-101 I-102 - I-103 HE-1 - HE-3 P-100 - P119 Q-100 - Q-104 E-100 - E-110 STREAM NUMBER
Strong Acid Strong Base
Seed Seed Seed Production Production Production Adsorption Heat
Ion Exchange Ion Exchange Pump Heater Cooler
Fermenter Fermenter Fermenter Fermenter Fermenter Fermenter Column Exchanger MAIN INPUT
Column Column
E-101 MAIN OUTPUT

HE-101 E-100 To Methanol
7
Storage
6
P-100 Q-100 ST-102
From feed E-102 5 T-100 ST-100 ST-101
HE-100 P-102
tank 1 9
From H3PO4 8 P-104 P-105 P-106

2 3
Tank 11 T-101
P-101 F-100 HE-103 Q-101 To waste
R-100 V-100 treatment
PS-100 E-103
10
13
12
E-104 MIX-100
P-103 Q-102
From Media
26
Supply
Q-102
MIX-102
Q-104 ST-104
P-119
A-100 NO DATE DESCRIPTION
F-102 F-103
ST-103 F-101 I-100
19 P-114 I-102 P-116

P-113
P-112
P-111 A-101
To gas
S-100 S-101 S-102 CCB 4013
treatment I-101
P-107 P-108 P-109 MIX-103 PLANT DESIGN PROJECT 1
I-103 P-115
20
14
23
E-107
P-118
15 GROUP 2
16 E-108
To waste 25
21
E-105 treatment Group Members:
24
T-103 E-109 To waste 17248
T-102 28 Khoo Tou Seng
treatment Jasvinder Singh 15477
PR-102 PR-101 PR-100 E-106 27 Mohamad Faeezani bin Mohd Faudzi 17362
22 T-104 Nur Hafiza binti Yahya 17691
18 V-102 P-117 E-110 To 1,3-PDO Nur Amirah Hanim binti Rahim 17373
17
P-110 29
storage
MIX-101 PS-101
SUPERVISOR
Stream no 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29
Vapor Fraction 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0275 0.0278 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0 0.0000 0.0000 0.0000 AP Dr. Suzana Yusup
Temperature (oC) 35.0 25.0 41.1 41.2 155.0 76.1 80.2 120.5 116.9 310.6 155.0 155.0 30.0 37.0 37.0 37.0 37.0 37.0 37.0 37.0 37.0 120.9 102.0 102.0 117.8 30.00567 232.4 199.2 233.9
Pressure (kPa) 101.3 101.3 101.3 195.0 101.3 200.0 181.0 200.0 180.0 200.0 101.3 200.0 200.0 130.0 130.0 101.3 101.3 101.3 101.3 200.0 165.0 200.0 101.3 200.0 185.0 150 200.0 150.0 200.0
Molar Enthalpy (kJ/ kgmole) -375778 -239543 -375526 -383933 -223578 -266213 -233597 -280705 -278084 -595396 -565420 -559823 -587032 -283987 -585617 -290562 -290558 -292326 -292326 -291143 -273374 -284626 -239343 -300232 -277904 -285111 -553097 -1933487 -438003 PROCESS FLOW DIAGRAM
Liquid Volume Flow (m3/h) 9.3 0.020772 9.3 9.1 3.651172 3.7 2.0 1.7 1.6 0.1 5.5 4.4 4.5 260.5 40.3 32.4 348.7 328.8 23.5 23.1 0.4 22.7 14.8 7.9 6.1 22.50475 1.8 0.2 1.6
Mass Flow (kg/h) 10000.0 35.0 10035.0 9706.2 3277.6 3277.6 1580.0 1697.6 1633.0 64.6 6428.6 5503.5 5568.1 260000.0 50000.0 31750.0 341750.0 329341.7 23525.0 23097.2 320.1 22761.1 14802.8 7958.4 6042.5 22478.3 1915.9 167.0 1748.9
Glycerol (kg/h) 5320.0 0.0 5320.0 5293.4 62.6 62.6 0.0 62.6 0.0 62.6 5230.8 5178.4 5241.1 0.0 47063.3 240.0 2365.3 2365.0 168.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
PRODUCTION OF 1,3-PROPANEDIOL PLANT
1,3-PDO (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2298.6 24948.8 24948.6 1782.1 1782.1 0.0 1782.1 9.1 1773.0 0.0 9.1 1773.0 25.9 1747.0
Ethanol (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 296.6 3218.9 3134.7 223.9 223.9 221.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Acetic acid (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 327.1 3550.4 3540.4 252.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 DATE: 12th AUGUST 2016
2,3-BDO (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 223.1 2422.0 2421.3 173.0 173.0 0.0 173.0 30.6 142.4 0.6 31.2 141.8 140.8 1.0
Water (kg/h) 1880.0 0.0 1880.0 1870.6 1597.7 1597.7 13.5 1584.2 1584.2 0.0 272.9 272.9 272.9 259992.2 2450.8 27212.2 292731.8 292214.0 20873.0 20873.0 67.6 20804.9 14762.7 6042.2 6041.9 22388.9 0.3 0.3 0.0
Carbon dioxide (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1067.8 11590.5 182.8 13.1 13.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 PREPARED CHECKED APPROVED
Hydrogen (kg/h) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 34.9 379.3 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Methanol (kg/h) 1620.0 0.0 1620.0 1611.9 1566.5 1566.5 1566.5 0.0 0.0 0.0 45.4 45.4 45.4 0.0 407.4 41.6 449.1 440.0 31.4 31.4 30.6 0.3 0.3 0.0 0.0 0.4 0.0 0.0 0.0
Methyl oleate (kg/h) 300.0 0.0 300.0 298.5 0.7 0.7 0.0 0.7 0.0 0.7 297.8 0.0 0.7 0.0 6.4 0.6 7.2 6.9 0.5 0.5 0.0 0.5 0.0 0.5 0.0 0.0 0.5 0.0 0.5
Oleic acid (kg/h) 300.0 0.0 578.3 575.4 0.4 0.4 0.0 0.4 0.0 0.4 575.0 0.0 0.4 0.0 4.0 0.4 4.4 4.3 0.3 0.3 0.0 0.3 0.0 0.3 0.0 0.0 0.3 0.0 0.3
Phosphoric acid (kg/h) 0.0 35.0 2.8 2.8 1.8 1.8 0.0 1.8 1.0 0.8 1.0 1.0 1.8 7.5 16.2 1.7 25.3 25.4 1.8 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0
Sodium oleate (kg/h) 300.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Ash (kg/h) 280.0 0.0 280.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
Sodium phosphate (kg/h) 0.0 0.0 53.9 53.6 47.8 47.8 0.0 47.8 47.8 0.0 5.8 5.8 5.8 0.0 52.1 5.3 57.4 57.3 4.1 0.0 0.0 0.0 0.0 0.0 0.0 47.8 0.0 0.0 0.0
.
Appendix E
Material Safety Data Sheet
99
He a lt h 1
1 1
Fire
1 0
Re a c t iv it y 0
P e rs o n a l G
P ro t e c t io n

Glycerin MSDS
Section 1: Chemical Product and Company Identification
Product Name: Glycerin Contact Information:

Catalog Codes: SLG1171, SLG1894, SLG1111, SLG1615 Sciencelab.com, Inc.
14025 Smith Rd.
CAS#: 56-81-5 Houston, Texas 77396
RTECS: MA8050000 US Sales: 1-800-901-7247
International Sales: 1-281-441-4400
TSCA: TSCA 8(b) inventory: Glycerin
Order Online: ScienceLab.com
CI#: Not available.
CHEMTREC (24HR Emergency Telephone), call:
Synonym: 1,2,3-Propanetriol; Glycerol 1-800-424-9300
Chemical Name: Glycerin International CHEMTREC, call: 1-703-527-3887
Chemical Formula: C3H5(OH)3 For non-emergency assistance, call: 1-281-441-4400
Section 2: Composition and Information on Ingredients

Composition:
Name CAS # % by Weight

Glycerin 56-81-5 100
Toxicological Data on Ingredients: Glycerin: ORAL (LD50): Acute: 12600 mg/kg [Rat]. 4090 mg/kg [Mouse]. DERMAL
(LD50): Acute: 10000 mg/kg [Rabbit]. MIST(LC50): Acute: >570 mg/m 1 hours [Rat].
Section 3: Hazards Identification
Potential Acute Health Effects: Slightly hazardous in case of skin contact (irritant, permeator), of eye contact (irritant), of
ingestion, of inhalation.
Potential Chronic Health Effects:
CARCINOGENIC EFFECTS: Not available. MUTAGENIC EFFECTS: Not available. TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available. The substance may be toxic to kidneys. Repeated or prolonged exposure to the
substance can produce target organs damage.
Section 4: First Aid Measures
Eye Contact:
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Cold water may be used. Get medical attention if irritation occurs.
p. 1
Skin Contact:
Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops. Cold water
may be used.
Serious Skin Contact: Not available.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical
attention immediately.
Serious Inhalation: Not available.
Ingestion:
Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious
person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical attention if symptoms appear.
Serious Ingestion: Not available.
Section 5: Fire and Explosion Data
Flammability of the Product: May be combustible at high temperature.

Auto-Ignition Temperature:
370C (698F)(NFPA Fire Protection Guide to Hazardous Materials, 13th ed., 2002; NIOSH ICSC, 2001; CHRIS, 2001) 392 C
(739 F) (Lewis, 1997)
Flash Points:
CLOSED CUP: 160C (320F). (Chemical Hazard Response Information System, 2001; Lewis, 1997). OPEN CUP: 177C
(350.6F) (Budavari, 2000; Chemical Response Information System, 2001; NIOSH ICSC, 2001) OPEN CUP: 199 C(390 F)
(National Fire Protection Association, Fire Protection Guide to Hazardous Materials, 13 ed., 2002)
Flammable Limits: LOWER: 0.9%
Products of Combustion: These products are carbon oxides (CO, CO2), irritating and toxic fumes.
Fire Hazards in Presence of Various Substances:
Slightly flammable to flammable in presence of open flames and sparks, of heat, of oxidizing materials. Non-flammable in
presence of shocks.
Explosion Hazards in Presence of Various Substances:
Risks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in
presence of static discharge: Not available. Explosive in presence of oxidizing materials.
Fire Fighting Media and Instructions:
SMALL FIRE: Use DRY chemical powder. LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks on Fire Hazards: Not available.
Special Remarks on Explosion Hazards:
Glycerin is incompatible with strong oxidizers such as chromium trioxide, potassium chlorate, or potassium permanganate and
may explode on contact with these compounds. Explosive glyceryl nitrate is formed from a mixture of glycerin and nitric and
sulfuric acids. Perchloric acid , lead oxide + glycerin form perchloric esters which may be explosive. Glycerin and chlorine may
explode if heated and confined.
Section 6: Accidental Release Measures
Small Spill:
Dilute with water and mop up, or absorb with an inert dry material and place in an appropriate waste disposal container.
Finish cleaning by spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large Spill:
p. 2
Stop leak if without risk. If the product is in its solid form: Use a shovel to put the material into a convenient waste disposal
container. If the product is in its liquid form: Do not get water inside container. Absorb with an inert material and put the spilled
material in an appropriate waste disposal. Do not touch spilled material. Use water spray to reduce vapors. Prevent entry into
sewers, basements or confined areas; dike if needed. Eliminate all ignition sources. Call for assistance on disposal. Finish
cleaning by spreading water on the contaminated surface and allow to evacuate through the sanitary system. Be careful that
the product is not present at a concentration level above TLV. Check TLV on the MSDS and with local authorities.
Section 7: Handling and Storage
Precautions:
Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not ingest. Do not
breathe gas/fumes/ vapor/spray. Wear suitable protective clothing. If ingested, seek medical advice immediately and show the
container or the label. Keep away from incompatibles such as oxidizing agents.
Storage: Keep container tightly closed. Keep container in a cool, well-ventilated area. Hygroscopic
Section 8: Exposure Controls/Personal Protection
Engineering Controls:
Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
threshold limit value. Ensure that eyewash stations and safety showers are proximal to the work-station location.
Personal Protection:
Safety glasses. Lab coat. Vapor respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
Personal Protection in Case of a Large Spill:
Splash goggles. Full suit. Vapor respirator. Boots. Gloves. A self contained breathing apparatus should be used to avoid
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this
product.
Exposure Limits:
TWA: 10 (mg/m3) from ACGIH (TLV) [United States] [1999] Inhalation Total. TWA: 15 (mg/m3) from OSHA (PEL) [United
States] Inhalation Total. TWA: 10 STEL: 20 (mg/m3) [Canada] TWA: 5 (mg/m3) from OSHA (PEL) [United States] Inhalation
Respirable.Consult local authorities for acceptable exposure limits.
Section 9: Physical and Chemical Properties
Physical state and appearance: Liquid. (Viscous (Syrupy) liquid.)

Odor: Mild
Taste: Sweet.
Molecular Weight: 92.09 g/mole
Color: Clear Colorless.
pH (1% soln/water): Not available.
Boiling Point: 290C (554F)
Melting Point: 19C (66.2F)
Critical Temperature: Not available.
Specific Gravity: 1.2636 (Water = 1)
Vapor Pressure: 0 kPa (@ 20C)
Vapor Density: 3.17 (Air = 1)
p. 3
Volatility: Not available.
Odor Threshold: Not available.
Water/Oil Dist. Coeff.: The product is more soluble in water; log(oil/water) = -1.8
Ionicity (in Water): Not available.
Dispersion Properties: See solubility in water, acetone.
Solubility:
Miscible in cold water, hot water and alcohol. Partially soluble in acetone. Very slightly soluble in diethyl ether (ethyl ether).
Limited solubility in ethyl acetate. Insoluble in carbon tetrachloride, benzene, chloroform, petroleum ethers, and oils
Section 10: Stability and Reactivity Data
Stability: The product is stable.

Instability Temperature: Not available.
Conditions of Instability: Avoid contact with incompatible materials, excess heat and ignition, sources, moisture.
Incompatibility with various substances: Highly reactive with oxidizing agents.
Corrosivity: Non-corrosive in presence of glass.
Special Remarks on Reactivity:
Hygroscopic. Glycerin is incompatible with strong oxidizers such as chromium trioxide, potassium chlorate, or potassium
permanganate. Glycerin may react violently with acetic anhydride, aniline and nitrobenzene, chromic oxide, lead oxide and
fluorine, phosphorous triiodide, ethylene oxide and heat, silver perchlorate, sodium peroxide, sodium hydride.
Special Remarks on Corrosivity: Not available.
Polymerization: Will not occur.
Section 11: Toxicological Information
Routes of Entry: Absorbed through skin. Eye contact.

Toxicity to Animals:
WARNING: THE LC50 VALUES HEREUNDER ARE ESTIMATED ON THE BASIS OF A 4-HOUR EXPOSURE. Acute oral
toxicity (LD50): 4090 mg/kg [Mouse]. Acute dermal toxicity (LD50): 10000 mg/kg [Rabbit]. Acute toxicity of the mist (LC50):
>570 mg/m3 1 hours [Rat].
Chronic Effects on Humans: May cause damage to the following organs: kidneys.
Other Toxic Effects on Humans: Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
Special Remarks on Toxicity to Animals:
TDL (rat) - Route: Oral; Dose: 100 mg/kg 1 day prior to mating. TDL (human) - Route: Oral; Dose: 1428 mg/kg
Special Remarks on Chronic Effects on Humans:
Glycerin is transferred across the plancenta in small amounts. May cause adverse reproductive effects based on animal
data (Paternal Effects (Rat): Spermatogenesis (including genetic material, sperm morphology, motility, and count), Testes,
epididymis, sperm duct). May affect genetic material.
Special Remarks on other Toxic Effects on Humans:
Acute Potential Health Effects: Low hazard for normal industrial handling or normal workplace conditions. Skin: May cause
skin irritation. May be absorbed through skin Eyes: May cause eye irritation with stinging, redness, burning sensation,
and tearing, but no eye injury. Ingestion: Low hazard. Low toxicity except with very large doses. When large doses are
ingested, it can cause gastrointestinal tract irritation with thirst (dehydration), nausea or vomiting diarrhea. It may also
affect behavior/central nervous system/nervous system (central nervous system depression, general anesthetic, headache,
dizziness, confusion, insomnia, toxic psychosis, muscle weakness, paralysisconvulsions), urinary system/kidneys(renal failure,
p. 4
hemoglobinuria), cardiovascular system (cardiac arrhythmias), liver. It may also cause elevated blood sugar. Inhalation:
Due to low vapor pressure, inhalation of the vapors at room temperature is unlikely. Inhalation of mist may cause respiratory
tract irritation. Chronic Potential Health Effects: Ingestion: Prolonged or repeated ingestion may affect the blood(hemolysis,
changes in white blood cell count), endocrine system (changes in adrenal weight), respiratory system, and may cause kidney
injury.
Section 12: Ecological Information
Ecotoxicity: Ecotoxicity in water (LC50): 58.5 ppm 96 hours [Trout].

BOD5 and COD: Not available.
Products of Biodegradation:
Possibly hazardous short term degradation products are not likely. However, long term degradation products may arise.
Toxicity of the Products of Biodegradation: The products of degradation are less toxic than the product itself.
Special Remarks on the Products of Biodegradation: Not available.
Section 13: Disposal Considerations
Waste Disposal:
Waste must be disposed of in accordance with federal, state and local environmental control regulations.
Section 14: Transport Information
DOT Classification: Not a DOT controlled material (United States).

Identification: Not applicable.
Special Provisions for Transport: Not applicable.
Section 15: Other Regulatory Information
Federal and State Regulations:

Illinois toxic substances disclosure to employee act: Glycerin Rhode Island RTK hazardous substances: Glycerin Pennsylvania
RTK: Glycerin Minnesota: Glycerin Massachusetts RTK: Glycerin Tennessee - Hazardous Right to Know: Glycerin TSCA 8(b)
inventory: Glycerin
Other Regulations:
OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200). EINECS: This product is on the
European Inventory of Existing Commercial Chemical Substances.
Other Classifications:
WHMIS (Canada): Not controlled under WHMIS (Canada).
DSCL (EEC):
Not available S24/25- Avoid contact with skin and eyes.
HMIS (U.S.A.):
Health Hazard: 1
Fire Hazard: 1
Reactivity: 0
Personal Protection: g
p. 5
National Fire Protection Association (U.S.A.):
Health: 1
Flammability: 1
Reactivity: 0
Specific hazard:
Protective Equipment:
Gloves. Lab coat. Vapor respirator. Be sure to use an approved/certified respirator or equivalent. Wear appropriate respirator
when ventilation is inadequate. Safety glasses.
Section 16: Other Information
References: Not available.

Other Special Considerations: Not available.
Created: 10/10/2005 08:38 PM
Last Updated: 05/21/2013 12:00 PM
The information above is believed to be accurate and represents the best information currently available to us. However, we
make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume
no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for
their particular purposes. In no event shall ScienceLab.com be liable for any claims, losses, or damages of any third party or for
lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if ScienceLab.com
has been advised of the possibility of such damages.
p. 6
_________________________________________________________________________________
Product Safety Summary Sheet
DuPont Tate & Lyle BioProducts 1,3-Propanediol
________________________________________________________________________________________
Chemical Identification, Product Identification or Common Name:

CAS number: 504-63-2
CAS name: 1,3-Propanediol
EC Number: 207-997-3
IUPAC name: propane-1,3-diol
Product Uses and Applications:

This chemical or product is generally used as an industrial building block for producing polymers
and composite materials. Many products that may also contain 1,3-Propanediol include adhesives,
sealants, laminates, coatings, paints, perfumes, fragrances, personal care products and laboratory-
scale chemicals.
Physical Properties of the Chemical or Product:

1,3-Propanediol is a colorless liquid with a freezing point of -24C and a boiling point of 214C.
The substance is non-flammable and non-explosive, and is considered stable at normal temperatures
and storage conditions.
Exposure Potential:
Workplace exposure:
1,3-Propanediol is typically used in processes with proper controls to minimize potential exposures
to workers as well as to the environment. Workers should follow the recommended safety measures
contained within the (Material) Safety Data Sheet ((M)SDS) and on any product packaging.
Employees should be trained in the appropriate work processes and safety equipment to limit
exposure to chemical substances. Occupational use of this substance is considered to be safe
provided the recommended safety measures given in the (M)SDS are followed.
1,3-Propanediol Page 1 of 3
Revised November 1, 2012
Consumer exposure:
1,3-Propanediol is of no immediate concern to humans indirectly exposed via the environment. In
formulated products designed for consumer use, such as coatings and paints, adhesives, sealants,
lubricants, and waxes, 1,3-Propanediol is of low concern for human exposure.
Environmental exposure:
By utilizing closed processes with proper exposure controls, potential exposures to workers are
minimized, and exposures to the environment (air, water) are relatively low. Equipment design,
engineering controls and worker training reduce the discharge of 1,3-Propanediol to the
environment. Treatment, storage, transportation, and disposal of 1,3-Propanediol must be in
accordance with applicable federal, state and local regulations.
Health Information
Note: The information contained in this section may be useful to someone handling the pure
undiluted substance such as a manufacturer or transporter. Consumers are not likely to come in
contact with the pure substance. For more information on health hazards and recommended
protective equipment, please refer to the (M)SDS.
Exposures may affect human health as follows:
Effect Assessment Result

Acute Toxicity Oral: Low toxicity.
Dermal: Low toxicity.
Inhalation: Low toxicity.
Irritation Skin: Not irritating.
Eye: Not irritating.
Sensitization Not sensitizing.
Mutagenicity Not mutagenic.
Carcinogenicity Not carcinogenic.
Toxicity after repeated exposure No long term toxicity.
Toxicity for reproduction Not a reproductive toxin.
Environmental Information
Note: The information in this section is intended to provide brief and general information of this
substances environmental impact. The results in the table below refer to testing performed with the non
formulated, undiluted substance. The data does not replace the data given in the (M)SDS. For more
information and recommended protective measures, please refer to the (M)SDS.
Effect Assessment Result

Aquatic Toxicity Very low toxicity to aquatic species.
Biodegradability Readily biodegradable.
Persistence Not persistent.
Bioaccumulation potential Not bioaccumulative.
Risk Management
Workplace Management:
Risk management measures for industrial site use include containment through engineering controls
and the use of personal protective equipment (PPE) as appropriate. Always refer to the (Material)
Safety Data Sheet ((M)SDS) for guidance on the appropriate personal protective equipment to be
used and on the safe handling of this material.
Consumer Risk Management:

Since only limited indirect exposure to the concentrated 1,3-propanediol via the environment is
expected and 1,3-propanediol has a favorable toxicological profile, there are no specific risk
management measures applicable. For formulated end-use products, consumers should always
follow manufacturer's instructions for the safe handling of products containing this chemical.
Always read the product labels prior to use.
Regulatory Information:
Always refer to the (Material) Safety Data Sheet ((M)SDS) for guidance on regulatory restrictions
that may govern the manufacture, sale, transportation, use and/or disposal of this chemical or
product. Regulations may vary by region, country, state or province, county, city, or local
government.
First Aid Information:

For all First Aid or Emergency information, consult the (Material) Safety Data Sheet ((M)SDS).
Information Sources:
Data is compiled from a variety of sources, including publicly available documents, internal data and
other sources such as, but not limited to, Chemical Safety Reports and (Material) Safety Data Sheets
((M)SDS).
Contact Information:
E.I. du Pont de Nemours and Company, Wilmington, DE 19880
USA Customer Service:
Toll Free: 1-800-774-1000
Global: 1-843-335-5912
Hours: 8:00 a.m. - 7 p.m. EST
Copyright 2012 DuPont or its affiliates. All rights reserved. The DuPont Oval Logo and DuPont are registered
trademarks of E.I. du Pont de Nemours and Company or its affiliates. No part of this material may be reproduced, stored
in a retrieval system or transmitted in any form or by any means electronic, mechanical, photocopying, recording or
otherwise without the prior written permission of DuPont.
This document is provided for informational purposes only and is based on technical information that to the best
knowledge of DuPont on the date issued, is believed to be reliable. This document refers only to the specific material
named and does not relate to its use in combination with any other material or process. This document is provided at no
charge and accordingly, no warranties of any kind express or implied are made regarding the technical data and
information provided. Furthermore, DuPont assumes no liability or obligation in connection with use of this
information. To obtain the most accurate and current information, consult the appropriate Safety Data Sheet (SDS) prior
to use of the material named herein. DuPont reserves the right to amend and update this information at any time.
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Ethyl alcohol 200 Proof MSDS
Product Name: Ethyl alcohol 200 Proof Contact Information:

Catalog Codes: SLE2248, SLE1357 Sciencelab.com, Inc.
14025 Smith Rd.
CAS#: 64-17-5 Houston, Texas 77396
RTECS: KQ6300000 US Sales: 1-800-901-7247
International Sales: 1-281-441-4400
TSCA: TSCA 8(b) inventory: Ethyl alcohol 200 Proof
Order Online: ScienceLab.com
CI#: Not applicable.
CHEMTREC (24HR Emergency Telephone), call:
Synonym: Ethanol; Absolute Ethanol; Alcohol; Ethanol 1-800-424-9300
200 proof; Ethyl Alcohol, Anhydrous; Ethanol, undenatured;
Dehydrated Alcohol; Alcohol International CHEMTREC, call: 1-703-527-3887
Chemical Name: Ethyl Alcohol For non-emergency assistance, call: 1-281-441-4400
Chemical Formula: CH3CH2OH

Composition:

Ethyl alcohol 200 Proof 64-17-5 100
Toxicological Data on Ingredients: Ethyl alcohol 200 Proof: ORAL (LD50): Acute: 7060 mg/kg [Rat]. 3450 mg/kg [Mouse].
VAPOR (LC50): Acute: 20000 ppm 8 hours [Rat]. 39000 mg/m 4 hours [Mouse].
Potential Acute Health Effects:

Hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation. Slightly hazardous in case of skin contact
(permeator), of ingestion.
Slightly hazardous in case of skin contact (sensitizer). CARCINOGENIC EFFECTS: A4 (Not classifiable for human or
animal.) by ACGIH. MUTAGENIC EFFECTS: Mutagenic for mammalian somatic cells. Mutagenic for bacteria and/or yeast.
TERATOGENIC EFFECTS: Classified PROVEN for human. DEVELOPMENTAL TOXICITY: Classified Development toxin
[PROVEN]. Classified Reproductive system/toxin/female, Reproductive system/toxin/male [POSSIBLE]. The substance is toxic
to blood, the reproductive system, liver, upper respiratory tract, skin, central nervous system (CNS). Repeated or prolonged
exposure to the substance can produce target organs damage.
p. 1
Eye Contact:
Check for and remove any contact lenses. Immediately flush eyes with running water for at least 15 minutes, keeping eyelids
open. Cold water may be used. Get medical attention.
Skin Contact:
In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove contaminated
clothing and shoes. Cold water may be used.Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical
attention.
Serious Skin Contact:
Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical attention.
Inhalation:
attention if symptoms appear.
Serious Inhalation:
Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, administer oxygen. If the victim is not breathing, perform mouth-to-mouth resuscitation. Seek medical
attention.
Ingestion:
Flammability of the Product: Flammable.

Auto-Ignition Temperature: 363C (685.4F)
Flash Points: CLOSED CUP: 12.78C (55F). OPEN CUP: 17.78C (64F) (Cleveland).
Flammable Limits: LOWER: 3.3% UPPER: 19%
Products of Combustion: These products are carbon oxides (CO, CO2).
Highly flammable in presence of open flames and sparks, of heat. Slightly flammable to flammable in presence of oxidizing
materials.
Risks of explosion of the product in presence of mechanical impact: Not available. Slightly explosive in presence of open
flames and sparks, of heat, of oxidizing materials, of acids.
Flammable liquid, soluble or dispersed in water. SMALL FIRE: Use DRY chemical powder. LARGE FIRE: Use alcohol foam,
water spray or fog.
Special Remarks on Fire Hazards:
Containers should be grounded. CAUTION: MAY BURN WITH NEAR INVISIBLE FLAME Vapor may travel considerable
distance to source of ignition and flash back. May form explosive mixtures with air. Contact with Bromine pentafluoride is likely
to cause fire or explosion. Ethanol ignites on contact with chromyl chloride. Ethanol ignites on contact with iodine heptafluoride
gas. It ignites than explodes upon contact with nitrosyl perchlorate. Additon of platinum black catalyst caused ignition.
Ethanol has an explosive reaction with the oxidized coating around potassium metal. Ethanol ignites and then explodes on
contact with acetic anhydride + sodium hydrosulfate (ignites and may explode), disulfuric acid + nitric acid, phosphorous(III)
oxide platinum, potassium-tert-butoxide+ acids. Ethanol forms explosive products in reaction with the following compound :
p. 2
ammonia + silver nitrate (forms silver nitride and silver fulminate), iodine + phosphorus (forms ethane iodide), magnesium
perchlorate (forms ethyl perchlorate), mercuric nitrate, nitric acid + silver (forms silver fulminate) silver nitrate (forms ethyl
nitrate) silver(I) oxide + ammonia or hydrazine (forms silver nitride and silver fulminate), sodium (evolves hydrogen gas).
Sodium Hydrazide + alcohol can produce an explosion. Alcohols should not be mixed with mercuric nitrate, as explosive
mercuric fulminate may be formed. May form explosive mixture with manganese perchlorate + 2,2-dimethoxypropane. Addition
of alcohols to highly concentrate hydrogen peroxide forms powerful explosives. Explodes on contact with calcium hypochlorite
Small Spill:
Dilute with water and mop up, or absorb with an inert dry material and place in an appropriate waste disposal container.
Large Spill:
Flammable liquid. Keep away from heat. Keep away from sources of ignition. Stop leak if without risk. Absorb with DRY earth,
sand or other non-combustible material. Do not touch spilled material. Prevent entry into sewers, basements or confined
areas; dike if needed. Be careful that the product is not present at a concentration level above TLV. Check TLV on the MSDS
and with local authorities.
Precautions:
Keep locked up.. Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do
not ingest. Do not breathe gas/fumes/ vapor/spray. Wear suitable protective clothing. In case of insufficient ventilation, wear
suitable respiratory equipment. If ingested, seek medical advice immediately and show the container or the label. Avoid
contact with skin and eyes. Keep away from incompatibles such as oxidizing agents, acids, alkalis, moisture.
Storage:
Store in a segregated and approved area. Keep container in a cool, well-ventilated area. Keep container tightly closed and
sealed until ready for use. Avoid all possible sources of ignition (spark or flame). Do not store above 23C (73.4F).
Splash goggles. Lab coat. Vapor respirator. Be sure to use an approved/certified respirator or equivalent. Gloves. Use a
respirator if the exposure limit is exceeded.
product.
Exposure Limits:
TWA: 1900 (mg/m3) from OSHA (PEL) [United States] TWA: 1000 (ppm) from OSHA (PEL) [United States] TWA: 1900 (mg/
m3) from NIOSH [United States] TWA: 1000 (ppm) from NIOSH [United States] TWA: 1000 (ppm) [United Kingdom (UK)]
TWA: 1920 (mg/m3) [United Kingdom (UK)] TWA: 1000 STEL: 1250 (ppm) [Canada]Consult local authorities for acceptable
exposure limits.
Physical state and appearance: Liquid. (Liquid.)

Odor:
p. 3
Mild to strong, rather pleasant; like wine or whiskey. Alcohol-like; Ethereal, vinous.
Taste: Pungent. Burning.
Color: Colorless. Clear
pH (1% soln/water): Not available.
Boiling Point: 78.5C (173.3F)
Melting Point: -114.1C (-173.4F)
Critical Temperature: 243C (469.4F)
Vapor Pressure: 5.7 kPa (@ 20C)
Odor Threshold: 100 ppm
Dispersion Properties: See solubility in water, methanol, diethyl ether, acetone.
Solubility:
Easily soluble in cold water, hot water. Soluble in methanol, diethyl ether, acetone.

Conditions of Instability: Incompatible materials, heat, sources of ignition.
Incompatibility with various substances: Reactive with oxidizing agents, acids, alkalis.
Corrosivity: Non-corrosive in presence of glass.
Ethanol rapidly absorbs moisture from the air. Can react vigorously with oxiders. The following oxidants have been
demonstrated to undergo vigorous/explosive reaction with ethanol: barium perchlorate, bromine pentafluoride, calcium
hypochlorite, chloryl perchlorate, chromium trioxide, chromyl chloride, dioxygen difluoride, disulfuryl difluoride, fluorine nitrate,
hydrogen peroxide, iodine heptafluoride, nitric acid nitrosyl perchlorate, perchloric acid permanganic acid, peroxodisulfuric
acid, potassium dioxide, potassium perchlorate, potassium permanganate, ruthenium(VIII) oxide, silver perchlorate, silver
peroxide, uranium hexafluoride, uranyl perchlorate. Ethanol reacts violently/expodes with the following compounds: acetyl
bromide (evolves hydrogen bromide) acetyl chloride, aluminum, sesquibromide ethylate, ammonium hydroxide & silver
oxide, chlorate, chromic anhydride, cyanuric acid + water, dichloromethane + sulfuric acid + nitrate (or) nitrite, hydrogen
peroxide + sulfuric acid, iodine + methanol + mercuric oxide, manganese perchlorate + 2,2-dimethoxy propane, perchlorates,
permanganates + sulfuric acid, potassium superoxide, potassium tert-butoxide, silver & nitric acid, silver perchlorate, sodium
hydrazide, sulfuric acid + sodium dichromate, tetrachlorisilane + water. Ethanol is also incompatible with platinium, and
sodium. No really safe conditions exist under which ethyl alcohol and chlorine oxides can be handled. Reacts vigorously with
acetyl chloride
Special Remarks on Corrosivity: Not available.
p. 4
Routes of Entry: Absorbed through skin. Dermal contact. Eye contact. Inhalation. Ingestion.
toxicity (LD50): 3450 mg/kg [Mouse]. Acute toxicity of the vapor (LC50): 39000 mg/m3 4 hours [Mouse].
Chronic Effects on Humans:
CARCINOGENIC EFFECTS: A4 (Not classifiable for human or animal.) by ACGIH. MUTAGENIC EFFECTS: Mutagenic for
mammalian somatic cells. Mutagenic for bacteria and/or yeast. TERATOGENIC EFFECTS: Classified PROVEN for human.
DEVELOPMENTAL TOXICITY: Classified Development toxin [PROVEN]. Classified Reproductive system/toxin/female,
Reproductive system/toxin/male [POSSIBLE]. Causes damage to the following organs: blood, the reproductive system, liver,
upper respiratory tract, skin, central nervous system (CNS).
Other Toxic Effects on Humans:
Hazardous in case of skin contact (irritant), of inhalation. Slightly hazardous in case of skin contact (permeator), of ingestion.
Special Remarks on Toxicity to Animals:
Lowest Published Dose/Conc: LDL[Human] - Route: Oral; Dose: 1400 mg/kg LDL[Human child] - Route: Oral; Dose: 2000 mg/
kg LDL[Rabbit] - Route: Skin; Dose: 20000 mg/kg
Special Remarks on Chronic Effects on Humans:
May affect genetic material (mutagenic) Causes adverse reproductive effects and birth defects (teratogenic) , based on
moderate to heavy consumption. May cause cancer based on animal data. Human: passes through the placenta, excreted in
maternal milk.
Acute potential health effects: Skin: causes skin irritation Eyes: causes eye irritation Ingestion: May cause gastrointestinal tract
irritation with nausea, vomiting, diarrhea, and alterations in gastric secretions. May affect behavior/central nervous system
(central nervous system depression - amnesia, headache, muscular incoordination, excitation, mild euphoria, slurred speech,
drowsiness, staggaring gait, fatigue, changes in mood/personality, excessive talking, dizziness, ataxia, somnolence, coma/
narcosis, hallucinations, distorted perceptions, general anesthetic), peripherial nervous system (spastic paralysis)vision
(diplopia). Moderately toxic and narcotic in high concentrations. May also affect metabolism, blood, liver, respiration (dyspnea),
and endocrine system. May affect respiratory tract, cardiovascular(cardiac arrhythmias, hypotension), and urinary systems.
Inhalation: May cause irritation of the respiratory tract and affect behavior/central nervous system with symptoms similar
to ingestion. Chronic Potential Health Effects: Skin: Prolonged or repeated skin contact may casue dermatitis, an allergic
reaction. Ingestion: Prolonged or repeated ingestion will have similiar effects as acute ingestion. It may also affect the brain.
Ecotoxicity: Ecotoxicity in water (LC50): 14000 mg/l 96 hours [Rainbow trout]. 11200 mg/l 24 hours [fingerling trout].
BOD5 and COD: Not available.
Toxicity of the Products of Biodegradation: The product itself and its products of degradation are not toxic.
Waste Disposal:
DOT Classification: CLASS 3: Flammable liquid.
p. 5
Identification: : Ethanol UNNA: 1170 PG: II
Special Provisions for Transport: Not available.

California prop. 65: This product contains the following ingredients for which the State of California has found to cause cancer,
birth defects or other reproductive harm, which would require a warning under the statute: Ethyl alcohol 200 Proof (in alcoholic
beverages) California prop. 65: This product contains the following ingredients for which the State of California has found
to cause birth defects which would require a warning under the statute: Ethyl alcohol 200 Proof (in alcoholic beverages)
Connecticut hazardous material survey.: Ethyl alcohol 200 Proof Illinois toxic substances disclosure to employee act: Ethyl
alcohol 200 Proof Rhode Island RTK hazardous substances: Ethyl alcohol 200 Proof Pennsylvania RTK: Ethyl alcohol 200
Proof Florida: Ethyl alcohol 200 Proof Minnesota: Ethyl alcohol 200 Proof Massachusetts RTK: Ethyl alcohol 200 Proof
Massachusetts spill list: Ethyl alcohol 200 Proof New Jersey: Ethyl alcohol 200 Proof Tennessee: Ethyl alcohol 200 Proof
California - Directors List of Hazardous Substances (8 CCR 339): Ethyl alcohol 200 Proof TSCA 8(b) inventory: Ethyl alcohol
200 Proof
Other Regulations:
WHMIS (Canada):
CLASS B-2: Flammable liquid with a flash point lower than 37.8C (100F). CLASS D-2A: Material causing other toxic effects
(VERY TOXIC).
DSCL (EEC):
R11- Highly flammable. S7- Keep container tightly closed. S16- Keep away from sources of ignition - No smoking.
HMIS (U.S.A.):
Health Hazard: 2
Fire Hazard: 3
Reactivity: 0
Personal Protection: E
Health: 2
Flammability: 3
Reactivity: 0
Specific hazard:
Gloves. Lab coat. Vapor respirator. Be sure to use an approved/certified respirator or equivalent. Wear appropriate respirator
when ventilation is inadequate. Splash goggles.
References:
-SAX, N.I. Dangerous Properties of Indutrial Materials. Toronto, Van Nostrand Reinold, 6e ed. 1984. -Material safety data
sheet emitted by: la Commission de la Sant et de la Scurit du Travail du Qubec. -Hawley, G.G.. The Condensed
Chemical Dictionary, 11e ed., New York N.Y., Van Nostrand Reinold, 1987. -The Sigma-Aldrich Library of Chemical Safety
Data, Edition II. HSDB, RTECS, and LOLI databases.
p. 6
Created: 10/09/2005 05:28 PM
Last Updated: 05/21/2013 12:00 PM
p. 7
2,3-Butanediol
Other names: 2,3-Butandiol; 2,3-Butanediol, isomer 1; 2,3-Butanediol,

isomer 2; 2,3-Butylene glycol; 2,3-Dihydroxybutane; 2,3-butanodiol;
2.3-Butanediol, isomer 3; Butane-2,3-diol; D-2,3-Butane diol;
Dimethylethylene glycol.
InChI: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
InChI Key: OWBTYPJTUOEWEK-UHFFFAOYSA-N
Formula: C4H10O2
SMILES: CC(O)C(C)O
Molecular Weight: 90.12
CAS: 513-85-9
Physical Properties
Property Value Unit Source
cHliquid -2461.00 kJ/mol NIST Webbook
fG -295.72 kJ/mol Joback Method
fHgas -440.91 kJ/mol Joback Method
fHliquid -544.80 kJ/mol NIST Webbook
fHliquid -541.80 kJ/mol NIST Webbook
fusH 7.25 kJ/mol Joback Method
vapH 57.08 kJ/mol Joback Method
logPoct/wat -0.252 Crippen Method
Pc 5087.49 kPa Joback Method
Tboil 456.70 K NIST Webbook
Tboil 455.65 1.00 K NIST Webbook
Tc 639.26 K Joback Method
Tfus 292.15 2.00 K NIST Webbook
Vc 0.285 m3/kg-mol Joback Method

Temperature Dependent Properties
Property Value Unit Temperature (K) Source
Cp,gas 173.55 J/molK 474.4 Joback Method
Cp,liquid 213.00 J/molK 298.2 NIST Webbook
0.0001207 Pas 474.4 Joback Method
vapH 57.90 kJ/mol 378.0 NIST Webbook
Sources
Joback Method: https://en.wikipedia.org/wiki/Joback_method

NIST Webbook: http://webbook.nist.gov/cgi/inchi/InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
Crippen Method: http://pubs.acs.org/doi/abs/10.1021/ci990307l
Legend
cHliquid: Standard liquid enthalpy of combustion (kJ/mol).

Cp,gas: Ideal gas heat capacity (J/molK).
Cp,liquid: Liquid phase heat capacity (J/molK).
: Dynamic viscosity (Pas).
fG: Standard Gibbs free energy of formation (kJ/mol).
fHgas: Enthalpy of formation at standard conditions (kJ/mol).
fHliquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).
fusH: Enthalpy of fusion at standard conditions (kJ/mol).
vapH: Enthalpy of vaporization at standard conditions (kJ/mol).
vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
logPoct/wat: Octanol/Water partition coefficient .
Pc: Critical Pressure (kPa).
Tboil: Normal Boiling Point Temperature (K).
Tc: Critical Temperature (K).
Tfus: Normal melting (fusion) point (K).
Vc: Critical Volume (m3/kg-mol).
Latest version available from:

https://www.chemeo.com/cid/59-555-1/2%2C3-Butanediol
Generated by Chemo on Tue, 19 Jul 2016 06:30:09 +0000.
Chemo (https://www.chemeo.com) is the biggest free database of chemical and physical data for the
process industry.
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Acetic acid MSDS
Product Name: Acetic acid Contact Information:

Catalog Codes: SLA3784, SLA1438, SLA2101, SLA3604, Sciencelab.com, Inc.
SLA1258 14025 Smith Rd.
Houston, Texas 77396
CAS#: 64-19-7
US Sales: 1-800-901-7247
RTECS: AF1225000 International Sales: 1-281-441-4400
TSCA: TSCA 8(b) inventory: Acetic acid Order Online: ScienceLab.com
CI#: Not applicable. CHEMTREC (24HR Emergency Telephone), call:

1-800-424-9300
Synonym: Acetic acid; glacial acetic acid
International CHEMTREC, call: 1-703-527-3887
Chemical Name: Acetic Acid, Glacial
For non-emergency assistance, call: 1-281-441-4400
Chemical Formula: C2-H4-O2

Composition:

Acetic acid 64-19-7 100
Toxicological Data on Ingredients: Acetic acid: ORAL (LD50): Acute: 3310 mg/kg [Rat]. 4960 mg/kg [Mouse]. 3530 mg/kg
[Rat]. DERMAL (LD50): Acute: 1060 mg/kg [Rabbit]. VAPOR (LC50): Acute: 5620 ppm 1 hours [Mouse].
Potential Acute Health Effects:

Very hazardous in case of skin contact (irritant), of eye contact (irritant), of ingestion, of inhalation. Hazardous in case of skin
contact (corrosive, permeator), of eye contact (corrosive). Liquid or spray mist may produce tissue damage particularly on
mucous membranes of eyes, mouth and respiratory tract. Skin contact may produce burns. Inhalation of the spray mist may
produce severe irritation of respiratory tract, characterized by coughing, choking, or shortness of breath. Inflammation of the
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
occasionally, blistering.
Hazardous in case of skin contact (irritant), of ingestion, of inhalation. CARCINOGENIC EFFECTS: Not available.
MUTAGENIC EFFECTS: Mutagenic for mammalian somatic cells. Mutagenic for bacteria and/or yeast. TERATOGENIC
EFFECTS: Not available. DEVELOPMENTAL TOXICITY: Not available. The substance may be toxic to kidneys, mucous
membranes, skin, teeth. Repeated or prolonged exposure to the substance can produce target organs damage. Repeated
p. 1
or prolonged contact with spray mist may produce chronic eye irritation and severe skin irritation. Repeated or prolonged
exposure to spray mist may produce respiratory tract irritation leading to frequent attacks of bronchial infection.
Eye Contact:
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Cold water may be used. Get medical attention immediately.
Skin Contact:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing
and shoes. Cover the irritated skin with an emollient. Cold water may be used.Wash clothing before reuse. Thoroughly clean
shoes before reuse. Get medical attention immediately.
Serious Skin Contact:
Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek immediate medical
attention.
Inhalation:
attention immediately.
Serious Inhalation:
Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, administer oxygen. If the victim is not breathing, perform mouth-to-mouth resuscitation. WARNING: It may
be hazardous to the person providing aid to give mouth-to-mouth resuscitation when the inhaled material is toxic, infectious or
corrosive. Seek immediate medical attention.
Ingestion:
Flammability of the Product: Flammable.

Auto-Ignition Temperature: 463C (865.4F)
Flash Points: CLOSED CUP: 39C (102.2F). OPEN CUP: 43C (109.4F).
Flammable Limits: LOWER: 4% UPPER: 19.9%
Products of Combustion: These products are carbon oxides (CO, CO2).
Flammable in presence of open flames and sparks, of heat. Slightly flammable to flammable in presence of oxidizing
materials, of metals.
Risks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in
presence of static discharge: Not available. Slightly explosive in presence of oxidizing materials.
Flammable liquid, soluble or dispersed in water. SMALL FIRE: Use DRY chemical powder. LARGE FIRE: Use alcohol foam,
water spray or fog. Cool containing vessels with water jet in order to prevent pressure build-up, autoignition or explosion.
Special Remarks on Fire Hazards:
Reacts with metals to produces flammable hydrogen gas. It will ignite on contact with potassium-tert-butoxide. A mixture of
ammonium nitrate and acetic acid ignites when warmed, especially if warmed.
p. 2
Acetic acid vapors may form explosive mixtures with air. Reactions between acetic acid and the following materials
are potentially explosive: 5-azidotetrazole, bromine pentafluoride, chromium trioxide, hydrogen peroxide, potassium
permanganate, sodium peroxide, and phorphorus trichloride. Dilute acetic acid and dilute hydrogen can undergo an
exothermic reaction if heated, forming peracetic acid which is explosive at 110 degrees C. Reaction between chlorine
trifluoride and acetic acid is very violent, sometimes explosive.
Small Spill:
Dilute with water and mop up, or absorb with an inert dry material and place in an appropriate waste disposal container. If
necessary: Neutralize the residue with a dilute solution of sodium carbonate.
Large Spill:
Flammable liquid. Corrosive liquid. Keep away from heat. Keep away from sources of ignition. Stop leak if without risk. If the
product is in its solid form: Use a shovel to put the material into a convenient waste disposal container. If the product is in
its liquid form: Absorb with DRY earth, sand or other non-combustible material. Do not get water inside container. Absorb
with an inert material and put the spilled material in an appropriate waste disposal. Do not touch spilled material. Use water
spray curtain to divert vapor drift. Prevent entry into sewers, basements or confined areas; dike if needed. Call for assistance
on disposal. Neutralize the residue with a dilute solution of sodium carbonate. Be careful that the product is not present at a
concentration level above TLV. Check TLV on the MSDS and with local authorities.
Precautions:
\Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not ingest. Do not
breathe gas/fumes/ vapor/spray. Never add water to this product. In case of insufficient ventilation, wear suitable respiratory
equipment. If ingested, seek medical advice immediately and show the container or the label. Avoid contact with skin and
eyes. Keep away from incompatibles such as oxidizing agents, reducing agents, metals, acids, alkalis.
Storage:
Store in a segregated and approved area. Keep container in a cool, well-ventilated area. Keep container tightly closed and
sealed until ready for use. Avoid all possible sources of ignition (spark or flame).
Splash goggles. Synthetic apron. Vapor respirator. Be sure to use an approved/certified respirator or equivalent. Gloves
(impervious).
product.
Exposure Limits:
TWA: 10 STEL: 15 (ppm) [Australia] TWA: 25 STEL: 27 (mg/m3) [Australia] TWA: 10 STEL: 15 (ppm) from NIOSH TWA: 25
STEL: 37 (mg/m3) from NIOSH TWA: 10 STEL: 15 (ppm) [Canada] TWA: 26 STEL: 39 (mg/m3) [Canada] TWA: 25 STEL: 37
(mg/m3) TWA: 10 STEL: 15 (ppm) from ACGIH (TLV) [United States] [1999] TWA: 10 (ppm) from OSHA (PEL) [United States]
TWA: 25 (mg/m3) from OSHA (PEL) [United States]Consult local authorities for acceptable exposure limits.
p. 3
Physical state and appearance: Liquid.
Odor: Pungent, vinegar-like, sour (Strong.)
Taste: Vinegar, sour (Strong.)
Color: Colorless. Clear (Light.)
pH (1% soln/water): 2 [Acidic.]
Boiling Point: 118.1C (244.6F)
Melting Point: 16.6C (61.9F)
Critical Temperature: 321.67C (611F)
Vapor Pressure: 1.5 kPa (@ 20C)
Odor Threshold: 0.48 ppm
Dispersion Properties: See solubility in water, diethyl ether, acetone.
Solubility:
Easily soluble in cold water, hot water. Soluble in diethyl ether, acetone. Miscible with Glycerol, alcohol, Benzene, Carbon
Tetrachloride. Practically insoluble in Carbon Disulfide.

Conditions of Instability: Heat, ignition sources, incompatible materials
Incompatibility with various substances: Reactive with oxidizing agents, reducing agents, metals, acids, alkalis.
Corrosivity:
Highly corrosive in presence of stainless steel(304). Slightly corrosive in presence of aluminum, of copper. Non-corrosive in
presence of stainless steel(316).
Reacts violently with strong oxidizing agents, acetaldehyde, and acetic anhydride. Material can react with metals, strong
bases, amines, carbonates, hydroxides, phosphates, many oxides,cyanides, sulfides, chromic acid, nitric acid, hydrogen
peroxide, carbonates. ammonium nitrate, ammonium thiosulfate, chlorine trifluoride, chlorosulfonic acid, perchloric acid,
permanganates, xylene, oleum, potassium hydroxide, sodium hydroxide, phosphorus isocyanate, ethylenediamine, ethylene
imine.
Special Remarks on Corrosivity: Moderate corrosive effect on bronze. No corrosion data on brass
Routes of Entry: Absorbed through skin. Dermal contact. Eye contact. Inhalation. Ingestion.
p. 4
toxicity (LD50): 3310 mg/kg [Rat]. Acute dermal toxicity (LD50): 1060 mg/kg [Rabbit]. Acute toxicity of the vapor (LC50): 5620
1 hours [Mouse].
Chronic Effects on Humans:
MUTAGENIC EFFECTS: Mutagenic for mammalian somatic cells. Mutagenic for bacteria and/or yeast. May cause damage to
the following organs: kidneys, mucous membranes, skin, teeth.
Other Toxic Effects on Humans:
Extremely hazardous in case of inhalation (lung corrosive). Very hazardous in case of skin contact (irritant), of ingestion, .
Hazardous in case of skin contact (corrosive, permeator), of eye contact (corrosive).
Special Remarks on Toxicity to Animals: Not available.
Special Remarks on Chronic Effects on Humans: May affect genetic material and may cause reproductive effects based on
animal data. No human data found.
Acute Potential Health Effects: Skin: Extremely irritating and corrosive. Causes skin irritation (reddening and itching,
inflammation). May cause blistering , tissue damage and burns. Eyes: Extremely irritating and corrosive. Causes eye irritation,
lacrimation, redness, and pain. May cause burns, blurred vision, conjunctivitis, conjunctival and corneal destruction and
permanent injury. Inhalation: Causes severe respiratory tract irritation. Affects the sense organs (nose, ear, eye, taste),
and blood. May cause chemical pneumonitis, bronchitis, and pulmonary edema. Severe exposure may result in lung tissue
damage and corrosion (ulceration) of the mucous membranes. Inhalation may also cause rhinitis, sneezing, coughing,
oppressive feeling in the chest or chest pain, dyspnea, wheezing, tachypnea, cyanosis, salivation, nausea, giddiness,
muscular weakness. Ingestion: Moderately toxic. Corrosive. Causes gastrointestinal tract irritation (burning and pain of the
mouth, throat, and abdomen, coughing, ulceration, bleeding, nausea, abdomial spasms, vomiting, hematemesis, diarrhea.
May Also affect the liver (impaired liver function), behavior (convulsions, giddines, muscular weakness), and the urinary
system - kidneys (Hematuria, Albuminuria, Nephrosis, acute renal failure, acute tubular necrosis). May also cause dyspnea
or asphyxia. May also lead to shock, coma and death. Chronic Potential Health Effects: Chronic exposure via ingestion may
cause blackening or erosion of the teeth and jaw necrosis, pharyngitis, and gastritis. It may also behavior (similar to acute
ingestion), and metabolism (weight loss). Chronic exposure via inhalation may cause asthma and/or bronchitis with cough,
phlegm, and/or shortness of breath . It may also affect the blood (decreased leukocyte count), and urinary system (kidneys).
Repeated or prolonged skin contact may cause thickening, blackening, and cracking of the skin.
Ecotoxicity:
Ecotoxicity in water (LC50): 423 mg/l 24 hours [Fish (Goldfish)]. 88 ppm 96 hours [Fish (fathead minnow)]. 75 ppm 96 hours
[Fish (bluegill sunfish)]. >100 ppm 96 hours [Daphnia].
BOD5 and COD: BOD-5: 0.34-0.88 g oxygen/g
Toxicity of the Products of Biodegradation: The products of degradation are less toxic than the product itself.
Waste Disposal:
DOT Classification:
p. 5
CLASS 3: Flammable liquid. Class 8: Corrosive material
Identification: : Acetic Acid, Glacial UNNA: 2789 PG: II
Special Provisions for Transport: Not available.

New York release reporting list: Acetic acid Rhode Island RTK hazardous substances: Acetic acid Pennsylvania RTK: Acetic
acid Florida: Acetic acid Minnesota: Acetic acid Massachusetts RTK: Acetic acid New Jersey: Acetic acid California Director's
List of Hazardous Subtances (8 CCR 339): Acetic acid TSCA 8(b) inventory: Acetic acid CERCLA: Hazardous substances.:
Acetic acid: 5000 lbs. (2268 kg)
Other Regulations:
WHMIS (Canada):
CLASS B-3: Combustible liquid with a flash point between 37.8C (100F) and 93.3C (200F). CLASS E: Corrosive liquid.
DSCL (EEC):
R10- Flammable. R35- Causes severe burns. S23- Do not breathe gas/fumes/vapour/spray [***] S26- In case of contact with
eyes, rinse immediately with plenty of water and seek medical advice. S45- In case of accident or if you feel unwell, seek
medical advice immediately (show the label where possible).
HMIS (U.S.A.):
Health Hazard: 3
Fire Hazard: 2
Reactivity: 0
Personal Protection: H
Health: 3
Flammability: 2
Reactivity: 0
Specific hazard:
Gloves (impervious). Synthetic apron. Vapor respirator. Be sure to use an approved/certified respirator or equivalent. Wear
appropriate respirator when ventilation is inadequate. Splash goggles.
References: Not available.

Created: 10/09/2005 03:35 PM
Last Updated: 05/21/2013 12:00 PM
p. 6
p. 7
Safety Data Sheet
according to 29CFR1910/1200 and GHS Rev. 3
Effective date : 12.07.2014 Page 1 of 8
Phosphoric Acid,ACS
SECTION 1 : Identification of the substance/mixture and of the supplier

Product name : Phosphoric Acid,ACS
Manufacturer/Supplier Trade name:
Manufacturer/Supplier Article number: S25470B
Recommended uses of the product and uses restrictions on use:
Manufacturer Details:
AquaPhoenix Scientific
9 Barnhart Drive, Hanover, PA 17331
Supplier Details:
Fisher Science Education
15 Jet View Drive, Rochester, NY 14624
Emergency telephone number:

Fisher Science Education Emergency Telephone No.: 800-535-5053
SECTION 2 : Hazards identification
Classification of the substance or mixture:
Corrosive
Skin corrosion, category 1B
Corrosive to metals, category 1
Corrosive to Metals 1
Skin Corrosion 1B
Signal word :Danger
Hazard statements:
May be corrosive to metals
Causes severe skin burns and eye damage
Precautionary statements:
If medical advice is needed, have product container or label at hand
Keep out of reach of children
Read label before use
Do not breathe dust/fume/gas/mist/vapours/spray
Wash thoroughly after handling
Wear protective gloves/protective clothing/eye protection/face protection
Keep only in original container
Do not eat, drink or smoke when using this product
Immediately call a POISON CENTER or doctor/physician
Specific treatment (see on this label)
Wash contaminated clothing before reuse
IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do.
Continue rinsing
Created by Global Safety Management, Inc. -Tel: 1-813-435-5161 - www.gsmsds.com

Safety Data Sheet
Phosphoric Acid,ACS
Store locked up
Store in a corrosive resistant/ container with a resistant inner liner
Dispose of contents/container to
Conc 10% to <25%:

Eye Irritation 2, Skin Irritation 2
Conc <10%:
Not classified for physical or health hazards under GHS.
Other Non-GHS Classification:

WHMIS
NFPA/HMIS
NFPA SCALE (0-4) HMIS RATINGS (0-4)
SECTION 3 : Composition/information on ingredients
Ingredients:
CAS 7664-38-2 Phosphoric Acid >85 %
CAS 7732-18-5 Deionized Water <15 %
Percentages are by weight
SECTION 4 : First aid measures

Description of first aid measures
After inhalation: Seek medical attention immediately. Move exposed individual to fresh air. Loosen clothing
as necessary and position individual in a comfortable position.
After skin contact: Remove contaminated clothing and wash before reuse or discard. Rinse skin with for 30
minutes with deluge of water or under a shower. Seek immediate medical attention.Wash affected area with
soap and water.
After eye contact: Rinse immediately with plenty of water, also under the eyelids, for at least 30 minutes.
Remove contact lens(es) if able to do so during rinsing. Seek medical attention immediately.Protect unexposed
eye.
After swallowing: Seek medical attention immediately. Rinse mouth thoroughly. Do not induce vomiting.
Have exposed individual drink sips of water.

Safety Data Sheet
Phosphoric Acid,ACS
Most important symptoms and effects, both acute and delayed:

Irritation, Nausea,Headache, Shortness of breath.May cause severe burns and ulcerations. May cause severe
burn and irreversible eye injury. May cause gastrointestinal tract burns, corrosion and permanent tissue
damage of the digestive tract and esophagus;
Indication of any immediate medical attention and special treatment needed:
If seeking medical attention, provide SDS document to physician.Wipe off contact areas with a dry cloth if
possible, before flushing with water. Dispose of cloth by soaking in water. Neutralize the soaking solution with
sodium hydroxide solution.
SECTION 5 : Firefighting measures

Extinguishing media
Suitable extinguishing agents: If in laboratory setting, follow laboratory fire suppression procedures. Use
appropriate fire suppression agents for adjacent combustible materials or sources of ignition
For safety reasons unsuitable extinguishing agents:
Special hazards arising from the substance or mixture:
Hydrogen gas is released in contact with most metals. Combustion products may include carbon oxides or other
toxic vapors.Combustion products may include phosphine, oxides of phosphorus, and hydrogen gas.
Advice for firefighters:
Protective equipment: Wear protective equipment Use respiratory protective device against the effects of
fumes/dust/aerosol/vapor . Use NIOSH-approved respiratory protection/breathing apparatus.
Additional information (precautions): Move product containers away from fire or keep cool with water
spray as a protective measure, where feasible.
SECTION 6 : Accidental release measures

Personal precautions, protective equipment and emergency procedures:
Wear protective equipment. Avoid contact with eyes, skin, and clothing. Use respiratory protective device
against the effects of fumes/dust/aerosol. Keep unprotected persons away. Ensure adequate ventilation.Keep
away from ignition sources. Protect from heat.Stop the spill, if possible. Contain spilled material by diking or
using inert absorbent. Transfer to a disposal or recovery container.
Environmental precautions:
Prevent from reaching drains, sewer or waterway. Collect contaminated soil for characterization per Section 13
Methods and material for containment and cleaning up:
Absorb spillage to prevent material damage due to corrosiveness to metal. If in a laboratory setting, follow
Chemical Hygiene Plan procedures.Place into properly labeled containers for recovery or disposal. If necessary,
use trained response staff/contractor.Collect liquids using inert absorbent material.
Reference to other sections:
SECTION 7 : Handling and storage

Precautions for safe handling:
Wash hands after handling. Do not mix with bases. Use in a chemical fume hood.Follow good hygiene
procedures when handling chemical materials. Do not eat, drink, smoke, or use personal products when
handling chemical substances. If in a laboratory setting, follow Chemical Hygiene Plan.Use only in well
ventilated areas.Prevent contact with eyes, skin, and clothing
Conditions for safe storage, including any incompatibilities:
Store away from oxidizing agents.Store in cool, dry conditions in well sealed containers. Keep container tightly
sealed.Do not store under direct sun light. Do not pile up the containers. Do not store at temperatures close to
freezing point.Container materials should be made of stainless steel 316-L, high-density polyethylene, or

Safety Data Sheet
Phosphoric Acid,ACS
glass.Provide ventilation for containers. Avoid storage near extreme heat, ignition sources or open flame. Store
away from foodstuffs.
SECTION 8 : Exposure controls/personal protection
Control Parameters: 7664-38-2, Phosphoric Acid, ACGIH TLV: 1 mg/m as TWA

7664-38-2, Phosphoric Acid, ACGIH TLV 3 mg/m as STEL
7664-38-2, Phosphoric Acid, OSHA PEL: TWA 1 mg/m3 (See 29 CFR
1910.1000 Appendix G)
7664-38-2, Phosphoric Acid, NIOSH REL: TWA 1 mg/m3
7664-38-2, Phosphoric Acid, NIOSH REL ST: 3 mg/m3
7664-38-2, Phosphoric Acid, NIOSH IDLH: 1000 mg/m3
Appropriate Engineering controls: Emergency eye wash fountains and safety showers should be available in
the immediate vicinity of use/handling.Provide exhaust ventilation or
other engineering controls to keep the airborne concentrations of vapor
or dusts (total/respirable) below the applicable workplace exposure limits
(Occupational Exposure Limits-OELs) indicated above.
Respiratory protection: Use suitable respiratory protective device when high concentrations are
present. Use suitable respiratory protective device when aerosol or mist
is formed. For spills, respiratory protection may be advisable.
Protection of skin: The glove material has to be impermeable and resistant to the product/
the substance/ the preparation being used/handled.Selection of the glove
material on consideration of the penetration times, rates of diffusion and
the degradation.
Eye protection: Safety glasses with side shields or goggles.
General hygienic measures: The usual precautionary measures are to be adhered to when handling
chemicals. Keep away from food, beverages and feed sources.
Immediately remove all soiled and contaminated clothing. Wash hands
before breaks and at the end of work. Do not inhale
gases/fumes/dust/mist/vapor/aerosols. Avoid contact with the eyes and
skin.
SECTION 9 : Physical and chemical properties
Appearance (physical Explosion limit lower: Not determined

Clear, colorless liquid
state,color): Explosion limit upper: Not determined
Odor: Odorless Vapor pressure: Not determined
Odor threshold: Not determined Vapor density: 3.4
pH-value: Not determined Relative density: 1.680
Melting/Freezing point: 21C Solubilities: Soluble in water
Boiling point/Boiling Partition coefficient (n-

158C Not determined
range: octanol/water):
Flash point (closed Auto/Self-ignition

Not determined Not determined
cup): temperature:

Safety Data Sheet
Phosphoric Acid,ACS
Decomposition
Evaporation rate: Not determined 300C
temperature:
Flammability a. Kinematic:Not determined

Not applicable Viscosity:
(solid,gaseous): b. Dynamic: Not determined
Density: Not determined

Additional property::Hygroscopic.
Specific Gravity:1.680
Molecular Weight: :98.00 g/mol
SECTION 10 : Stability and reactivity
Reactivity:
Chemical stability:This hygroscopic substance pulls moisture from air. No decomposition if used and stored
according to specifications.
Possible hazardous reactions:
Conditions to avoid:Metals. Exposure to moist air or water. Incompatible materials. Excess heat. Store away from
oxidizing agents, strong acids or bases.
Incompatible materials:Metals. Bases . Alcohols. Amines. Halogenated agents. Organic peroxides. Amides. Azo.
Diazo. Hydrazines. Chlorates. Carbamates. Esters. Fluorides. Phenols. Cresols . Organophosphates.
Phosphothioates. Epoxides. Combustible and flammable materials. Explosives. Alkalines. Nitromethane. Sodium
tetrahydroborate. Mercaptans. Aldehydes. Ketones. Glycols. Cyanides. Sulfides. Caustics. Strong acids.Carbides.
Strong bases.Fulminates. Reducing agents. Nitrates. Acetic acid. Oxidizing agents
Hazardous decomposition products:Phosophine. Oxides of phosphorus. Hydrogen gas is released in contact
with most metals.
SECTION 11 : Toxicological information
Acute Toxicity:
LD50 for a 10% solution of 75.4% thermal

Oral: 2600 mg/kg bw
phosphoric acid (rat)
Oral: 1530 mg/m3 LD50 oral-rat: (7764-38-2)
Inhalation: >850mg/m3 LC50 inhalation-rat (1h) (7664-38-2)
Chronic Toxicity: No additional information.
Corrosion Irritation:
Dermal: Section 2 Classified as a skin corrosion
Section 2 (eye damage is presumed with

Ocular: Eye Damage
Skin 1 classification)
Dermal: May cause severe burns and ulcerations.
May cause severe burn and irreversible eye

Ocular:
damage
Sensitization: No additional information.
Single Target Organ (STOT): No additional information.
Numerical Measures: No additional information.

Safety Data Sheet
Phosphoric Acid,ACS
IARC: Not listed

Carcinogenicity:
NTP: Not listed
Mutagenicity: No additional information.
Reproductive Toxicity: No additional information.
SECTION 12 : Ecological information
Ecotoxicity
Do not release to water: May release phosphates which will result in algae growth, increased turbidity, and
depleted oxygen in the marine environment; at extremely high concentrations and/or quantities, this may be
hazardous to fish or other marine organisms.
LpH50 (median lethal pH) (96h) phosphoric acid (bluegill sunfish): 3-3.25
Adult brook trout survived 5 months exposure to pH levels of 5.0 and above. Total egg production
was not affected, but viability was significantly less at pH 5.0. Hatchability was significantly less at
levels below pH 6.5. Growth and survival of alevins was reduced at the lower pH levels. : The data
indicate that continuous exposure to pH levels below 6.5 result in significant reductions in egg hatchability and
growth.
Algae: NOEC (EC50 >100 mg/l, the upper limit of toxic range) D. subspicatus : 100 mg/l
Persistence and degradability: Readily degradable in the environment.
Bioaccumulative potential: The phosphorus element is an essential nutrient for flora and fauna
Mobility in soil:
Other adverse effects:
SECTION 13 : Disposal considerations
Waste disposal recommendations:

Product/containers must not be disposed together with household garbage. Do not allow product to reach
sewage system or open water.It is the responsibility of the waste generator to properly characterize all waste
materials according to applicable regulatory entities (US 40CFR262.11). Consult federal state/ provincial and
local regulations regarding the proper disposal of waste material that may incorporate some amount of this
product.
SECTION 14 : Transport information
UN-Number
1805
UN proper shipping name
Phosphoric Acid Solution
Transport hazard class(es)
Class:
8 Corrosive substances
Packing group:III
Environmental hazard:Not listed as a Marine Polllutant
Transport in bulk:
Special precautions for user:
SECTION 15 : Regulatory information

Safety Data Sheet
Phosphoric Acid,ACS
United States (USA)

SARA Section 311/312 (Specific toxic chemical listings):
Acute
SARA Section 313 (Specific toxic chemical listings):
None of the ingredients is listed
RCRA (hazardous waste code):
TSCA (Toxic Substances Control Act):
All ingredients are listed.
CERCLA (Comprehensive Environmental Response, Compensation, and Liability Act):
7664-38-2 Phosphoric acid 5000
Proposition 65 (California):
Chemicals known to cause cancer:

Chemicals known to cause reproductive toxicity for females:
Chemicals known to cause reproductive toxicity for males:
Chemicals known to cause developmental toxicity:
Canada
Canadian Domestic Substances List (DSL):

All ingredients are listed.
Canadian NPRI Ingredient Disclosure list (limit 0.1%):
Canadian NPRI Ingredient Disclosure list (limit 1%):
7664-38-2 Phosphoric acid
SECTION 16 : Other information
This product has been classified in accordance with hazard criteria of the Controlled Products Regulations and the
SDS contains all the information required by the Controlled Products Regulations.Note:. The responsibility to
provide a safe workplace remains with the user.The user should consider the health hazards and safety information
contained herein as a guide and should take those precautions required in an individual operation to instruct
employees and develop work practice procedures for a safe work environment.The information contained herein is,
to the best of our knowledge and belief, accurate.However, since the conditions of handling and use are beyond
our control, we make no guarantee of results, and assume no liability for damages incurred by the use of this
material.It is the responsibility of the user to comply with all applicable laws and regulations applicable to this
material.
GHS Full Text Phrases:
Abbreviations and acronyms:

IMDG: International Maritime Code for Dangerous Goods
PNEC: Predicted No-Effect Concentration (REACH)

Safety Data Sheet
Phosphoric Acid,ACS
CFR: Code of Federal Regulations (USA)

SARA: Superfund Amendments and Reauthorization Act (USA)
RCRA: Resource Conservation and Recovery Act (USA)
TSCA: Toxic Substances Control Act (USA)
NPRI: National Pollutant Release Inventory (Canada)
DOT: US Department of Transportation
IATA: International Air Transport Association
GHS: Globally Harmonized System of Classification and Labelling of Chemicals
ACGIH: American Conference of Governmental Industrial Hygienists
CAS: Chemical Abstracts Service (division of the American Chemical Society)
NFPA: National Fire Protection Association (USA)
HMIS: Hazardous Materials Identification System (USA)
WHMIS: Workplace Hazardous Materials Information System (Canada)
DNEL: Derived No-Effect Level (REACH)
Effective date : 12.07.2014

Last updated : 03.23.2015

Design of 1,3-Propanediol Plant

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Design of 1,3-Propanediol Plant

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CCB 4013 PLANT DESIGN I

SEMESTER MAY 2016

KHOO TOU SENG 17248

Chemical Engineering Programme

CCB 4013 PLANT DESIGN PROJECT I

SEMESTER MAY 2016

DESIGN OF 1,3-PROPANEDIOL PRODUCTION PLANT USING CRUDE

KHOO TOU SENG 17478

JASVINDER SINGH 15477

MOHAMAD FAEEZANI BIN MOHD FAUDZI 17362

NUR HAFIZA BINTI YAHYA 17691

NUR AMIRAH HANIM BINTI RAHIM 17373

DR. SUZANA YUSUP (Group Supervisor)

CHEMICAL ENGINEERING DEPARTMENT

UNIVERSITI TEKNOLOGI PETRONAS

We would like to express our sincerest gratitude to our supervisor, Dr Suzana

3. General Process Description

Two reactions take place in the plant:

Condition, conversion and reactor model for neutralization reaction

Process condition, conversion and reactor model for fermentation reaction

Component Stream Input (kg/h) Stream Output (kg/h)

The requirement of hot and cold utilities can be seen as follows:

Equipment Heaters and coolers Distillation column Fermenters

Type of Utilities requirement Heat Utilities requirement Reduction

Equipment Equipment Tag Temperature (oC) Pressure (kPa)

Annual profit from simple reactant and product calculation

CHAPTER 1: INTRODUCTION ....................................................................................... 1

CHAPTER 2: LITERATURE REVIEW ............................................................................ 4

CHAPTER 3: PRELIMINARY HAZARD ANALYSIS ................................................. 24

CHAPTER 4: CONCEPTUAL DESIGN ANALYSIS .................................................... 46

CHAPTER 5: HEAT INTEGRATION ............................................................................ 75

CHAPTER 6: PROCESS FLOWSHEETING .................................................................. 83

Conventional processes of synthesis of 1,3-PDO through hydration of acrolein

Selective hydroxylation of glycerol into 1,3-PDO is completed in three steps which

The composition of crude glycerol given as the feedstock of 1,3-PDO production

TABLE 1.1. Composition of crude glycerol

1.4 Scope of Work

Proposed plant location

FIGURE 2.2 Glycerol industrial applications of glycerol (Tan et al., 2013)

The applications of 1,3-PDO include the synthesis of polymers including

As stated in the problem statement, crude glycerol [C3H5(OH)3] must be used as

FIGURE 2.3 Structural formula of glycerol (Wikipedia)

1,3-propanediol (1,3-PDO) with purity of 99.9 % w/w is the main product. It is an

FIGURE 2.4 Structural formula of 1,3-propanediol (Wikipedia)

Ethanol is one of the byproducts in the fermentation. It is an organic compound

FIGURE 2.5 Structural formula of ethanol (Wikipedia)

TABLE 2.3 The physical and chemical properties of ethanol

2,3-Butanediol is one of the byproducts in the fermentation. It is an organic

FIGURE 2.6 Structural formula of 2,3-butanediol (Wikipedia)

TABLE 2.4 The physical and chemical properties of 2,3-butanediol

Acetic acid is one of the byproducts in the fermentation. It is an organic compound

FIGURE 2.7 Structural formula of acetic acid (Wikipedia)

TABLE 2.5 The physical and chemical properties of acetic acid

Currently, the ordinary techniques of synthesis of the 1,3-propanediol are via

2.3.1 Selective Dehydroxylation of Glycerol

A few catalysts have been experimented to convert glycerol to 1,3-propanediol

FIGURE 2.9 Reaction pathways of glycerol hydrogenolysis

Fermentation of glycerol through biotechnology is an environmental friendly

Fermentation of glycerol will be done under anaerobic condition through these

The location of a chemical plant is important to ensure maximum profitability of a project

i. Raw material availability

iii. Climate and natural disasters

iv. Waste disposal