Fluid Phase Equilibria 168 2000.

7190
www.elsevier.nlrlocaterfluid

Generalized saturated liquid density prediction method for pure

compounds and multi-component mixtures
Kh. Nasrifar, Sh. Ayatollahi, M. Moshfeghian

Department of Chemical Engineering, Shiraz Uniersity, Shiraz, Iran

Received 8 July 1999; accepted 16 November 1999

Abstract
A generalized saturated liquid density equation in conjunction with the Predictive-SoaveRedlichKwong
PSRK. equation of state has been developed. This equation uses the Mathias and Copeman temperature
dependent term in addition to the critical temperature, critical density and dipole moment for prediction of
saturated liquid density of pure compounds. The average absolute error for prediction of the saturated liquid
density of 4745 experimental data points for hydrocarbons, halogenated paraffins, liquefied inorganic gases,
alcohols, ethers and acids was 0.91%. The equation was then used with the equation and mixing rules of
Nasrifar and Moshfeghian to predict the saturated liquid density of multi-component mixtures. The average
absolute error for prediction of saturated liquid density of 87 multi-component systems containing nitrogen,
hydrocarbons, alcohols, H 2 S, CO 2 and halogenated paraffins was 1.11% for 1407 experimental data points.
q 2000 Elsevier Science B.V. All rights reserved.
Keywords: Correlation; Saturated liquid density; PSRK equation of state; Pure; Mixture

1. Introduction
Saturated liquid density is often predicted by Equations of State EOS. . In general, however, these
predictions are not quite accurate. Recently, Nasrifar and Moshfeghian w1x have compared four EOS
and fourteen saturated liquid density correlations for the calculation of the saturated liquid density of
18 refrigerants. They concluded that except for the Chain-of-Rotator-Group-Contribution CORGC.
EOS w2,3x these EOS were not accurate enough. Errors of more than 5% are common for cubic EOS,
but because of their wide usage they are the most popular ones.
)

Corresponding author. Tel.: q98-71-30-3071; fax: q98-71-67-2060.

E-mail address: moshfeg@succ.shirazu.ac.ir M. Moshfeghian..

0378-3812r00r$ - see front matter q 2000 Elsevier Science B.V. All rights reserved.
PII: S 0 3 7 8 - 3 8 1 2 9 9 . 0 0 3 2 7 - 1

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

72

The volume translation method of Martin w4x and Peneloux et al. w5x was aimed to improve the
predictability of cubic EOS for saturated liquid density prediction. The values of volume translation
obtained by Peneloux et al. w5x was suitable for reduced temperatures of 0.7 or 0.8, but beyond these
reduced temperatures the predictive quality of the method was generally poor. To revive this
deficiency, Watson et al. w6x, Ji and Lempe w7x and Monnery et al. w8x introduced different temperature
dependent volume corrections. With this corrections and introducing adjustable parameters for each
compound the accuracy of the method is about 1%. Generalizing the adjustable parameters in terms of
known properties makes the method to be accurate within 2%.
Another method to improve the calculation of saturated liquid density in connection with an EOS
was developed by Nasrifar and Moshfeghian NM. w9x. They introduced an empirical correlation in
conjunction with the Predictive-SoaveRedlichKwong PSRK. EOS w10x for the calculation of the
saturated liquid density of refrigerants. This method needs one adjustable parameter for each
compound and its accuracy is within 0.5% of experimental data. The method was evaluated for a
limited number of compounds belonging to refrigerant classes. Also, in the absence of the adjustable
parameter the method is not accurate enough. In addition, in the case of multi-component mixtures the
method was only tested for LNG mixtures. Therefore, in order to continue our previous research, the
NM correlation for other compounds involving heavy paraffinic hydrocarbons, cyclic hydrocarbons,
unsaturated hydrocarbons, liquefied inorganic gases, alcohols, ethers, etc. is evaluated. Then, the
method is generalized to omit the requirement of the adjustable parameter. Finally, the method is
extended and evaluated for multi-component mixtures.

2. The PSRK EOS

For pure compounds, the PSRK EOS w10x is a modified form of SoaveRedlichKwong SRK.
EOS w11x that uses the Mathias and Copeman w12x temperature dependent term for the attraction
parameter of the EOS. It is expressed by:
Ps

RT
y
yb

a Tr .

1.

qb.

where
b s 0.08664

RTC

2.

PC

and
a Tr . s 0.42748

R 2 TC2
PC

f Tr .

3.

The function f Tr . is the Mathias and Copeman w12x temperature dependent term and is expressed by:
2

f Tr . s 1 q c1 1 y Tr0.5 . q c 2 1 y Tr0.5 . q c 3 1 y Tr0.5 .

3 2

, Tr - 1

4.

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

73

where c1, c 2 and c 3 are vapor pressure dependent parameters for each compound and these values are
given in Table 1 for 78 compounds. They were optimized such that the following objective function,
< PCAL ,1 y P EXP,i <

Vi s

5.

P EXP,i

was minimized. For this purpose the nonlinear regression package of Chandler w13x was used.
2.1. The NM saturated liquid density correlation
The NM correlation is expressed by:

rr s

rS
rC

s r 0 1 q d f Tr . y 1 .

1r3

6.

where r C is critical density and r S saturated liquid density. The function r 0 is expressed by:

r 0 s 1 q d1 1 y

Tr
f Tr .

1r3

q d2 1 y

Tr
f Tr .

2r3

q d3 1 y

Tr
f Tr .

q d4 1 y

Tr
f Tr .

4r3

7.

where d1, d 2 , d 3 and d 4 are universal constants and were provided by Nasrifar and Moshfeghian w9x.
The parameter d is a characteristic parameter for each compound that is given for 78 compounds in
Table 1. The parameter d is calculated using nonlinear regression by minimizing the following
objective function:
n

Vr s
i

r CAL ,i y r EXP ,i
r EXP,i

8.

To extend Eqs. 6. and 7. to multi-component mixtures, Nasrifar and Moshfeghian w9x provided
the following mixing rules:
nc

TC ,m s x i TC ,i

9.

i
nc

dm s x i d i

10.

i
nc

f m Tr . s
i

nc

x i x j f i j Tr .

11.

where

f i j Tr . s f i Tr . f j Tr .

12.

74

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

Table 1
Optimized vapor pressure dependent parameters of Mathias and Copeman w12x equation based on PSRK EOS and d in the
NM method for different compounds
Compound

Ref.

d =10 2

na

c1

c2

c3

AAPDrb

Halogenated paraffins
Carbon Tetrachloride R-10.
Dichlorofluoromethane R-21.
Difluromethane R-32.
Methyl Chloride R-40.
1,1,2,2-Tetrafluroethane R-134.
Pentafluoroethane R-125.
1,1-Dichloro-1-fluoroethane R-141b.
Monochlorodifluroethane R-142.
1,1,1-Trifluroethane R-143a.
1,3-Dichloro-1,1,2,2,3,3-hexafluoroethane R-216.
1,1,1,2,2-Pentafluoropropane R-245cb.
Octaflurocyclobutane R-C318.
Chloroethane R-160.
Azeotrope of R-12 and R-152a R-500.
Azeotrope of R-12 and R-115 R-502.
Azeotrope of R-23 and R-13 R-503.
Azeotrope of R-12 and R-31 R-505.

w14x
w14,15x
w16,17x
w14,15x
w18x
w17x
w18,19x
w14x
w17x
w16x
w16,20x
w14,16x
w16x
w15,16x
w15,16x
w15,16x
w15x

0.22
1.10
6.43
8.08
y0.17
2.24
y1.33
4.99
3.06
4.29
1.01
y0.11
3.60
1.48
0.01
y1.82
1.45

23
75
39
73
27
18
40
23
12
16
49
66
17
113
80
57
112

0.8587
0.8686
1.0054
0.8352
0.9483
1.0162
0.8833
0.9453
0.7868
1.0433
1.0279
1.0521
0.8327
0.8566
0.8630
0.8456
0.8277

y0.8465
y0.8440
y0.7979
y1.0274
0.1797
y0.6470
y0.6832
y0.8263
2.2324
y1.0050
y1.1929
y0.4022
y0.4152
y0.5110
y0.4620
y0.6568
y0.6855

2.1216
2.2961
1.2350
2.1914
y2.0000
1.4038
1.7357
1.6066
y14.6918
2.7623
3.6115
1.1152
0.6459
0.8944
1.0417
1.7539
1.4498

0.27
0.35
0.41
0.21
0.73
0.37
0.51
0.02
0.32
0.11
0.38
0.19
0.13
0.23
0.37
0.19
0.13

Parraffins
n-Pentane
i-Pentane
n-Hexane
n-Heptane
n-Octane
i-Octane
n-Nonane
n-Decane
n-Dodecane
n-Tridecane
n-Tetradecane
n-Pentadecane
n-Hexadecane
n-Heptadecane
n-Octadecane
n-Nonadecane
n-Eichosane

w14x
w14x
w14x
w14,16x
w14,16x
w14x
w14,16x
w14,16x
w14x
w14x
w14x
w14x
w14x
w14x
w14x
w14x
w14x

0.88
0.28
1.69
2.71
1.50
2.35
0.72
0.70
0.10
y1.61
y2.95
y2.28
y2.41
y2.89
y3.22
y3.40
y3.84

21
21
23
39
30
22
26
27
14
11
12
12
10
12
13
14
13

0.9820
0.8767
1.0430
1.1244
1.2278
1.0418
1.2798
1.3432
1.4001
1.5250
1.6028
1.4718
1.6009
1.7894
1.9229
1.9622
1.8148

y1.1695
y0.6043
y1.1553
y1.1786
y1.5558
y1.0064
y1.3822
y1.4550
y0.9851
y1.6367
y2.1855
0.1219
y1.2395
y2.1890
y3.2251
y3.0743
y2.2027

2.7523
1.4025
2.9235
2.8656
3.9361
2.3894
3.3933
3.7609
2.7150
4.3320
6.1629
y0.8291
3.8971
5.6027
8.7989
8.3779
7.6877

0.33
0.16
0.31
0.29
0.30
0.15
0.39
0.33
0.10
0.10
0.34
0.59
0.22
0.53
0.16
0.09
0.52

Cycloparaffins
Cyclopentane
Methyl Cyclopentane
Ethyl Cyclopentane
Cyclohexane
Methyl Cyclohexane

w14x
w14x
w14x
w14x
w14x

y0.37
0.52
0.81
1.12
y0.25

24
24
24
27
26

0.8589
0.9131
0.9630
0.9004
0.9144

y0.8034
y0.7992
y0.7185
y1.1193
y0.7259

1.9739
1.9094
1.7476
3.0331
1.7079

0.49
0.19
0.14
0.47
0.23

Olefins, cyclic olefins and diolefins

1-Butene
cis-2-Butene

w14x
w14x

2.10
2.18

21
12

0.8623
1.1925

y0.9746
y2.8905

2.5145
6.2451

0.44
0.56

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

75

Table 1 continued .

d =10 2

na

c1

c2

w14x
w14x
w14x
w14x
w14x
w14x
w14x
w14x
w14x
w14,16x
w14x
w14x

y0.69
1.98
2.82
5.06
3.45
0.57
0.49
2.32
0.61
0.38
0.40
3.31

11
19
22
15
15
13
13
14
13
50
13
12

0.9561
0.8047
0.8852
0.8821
0.8901
0.9922
1.1880
0.8714
0.8817
0.9054
0.3028
0.6064

y1.0857
y0.1717
y0.7889
y0.3450
y0.3991
y0.7265
y1.2565
y0.7181
y0.8151
y1.2209
2.9256
0.8848

1.9271
0.0777
1.7487
0.7952
0.9130
1.5313
2.9551
1.4110
2.0567
2.7928
y5.5643
y1.1175

0.19
0.22
0.20
0.13
0.09
0.12
0.13
0.13
0.25
0.38
0.87
0.24

Aromatics
Benzene
Toluene
Ethylbenzene
Isopropylbenzene Cumene.
Biphenyl
Chlorobenzene

w14,16x
w14,16x
w14x
w14x
w14,16x
w14x

1.29
2.45
0.61
2.57
y1.76
2.16

65
27
15
15
7
20

0.8611
0.9247
1.0474
0.8179
0.9418
0.9616

y0.6902
y0.3793
y1.0559
0.6686
0.6000
y0.9430

1.8617
0.7391
2.4376
y0.7808
y1.7506
2.1995

0.22
0.37
0.10
0.26
1.29
0.21

Alcohols
Methanol
1-Propanol
2-Propanol
n-Butanol

w14,16x
w14x
w14x
w14x

0.85
0.57
y2.80
y1.10

27
7
8
9

1.4854
1.3797
1.6484
1.7026

y1.3968
y0.2084
y1.4784
y2.8376

2.1661
1.7651
4.3961
7.8835

0.75
0.46
0.50
0.66

Inorganic gases
Chlorine
Carbon Monoxide
Normal Deuterium
Fluorine
Hydrogen Sulfide
Krypton
Xenon
Sulfur Dioxide

w14,16x
w14,16x
w16x
w14,16x
w21x
w14,16x
w14,16x
w14,16x

0.53
1.35
y14.03
y2.77
3.43
y0.69
1.27
3.43

39
34
19
32
14
35
76
41

0.6492
0.6001
0.3100
0.5583
0.4548
0.5251
0.5354
0.9189

y0.5301
y0.4675
y0.3833
0.0379
2.6636
y0.4492
y0.4842
y0.5319

1.2918
1.1440
0.1611
y0.2577
y10.8909
0.9010
0.9878
1.3446

0.08
0.20
0.03
0.64
0.10
0.05
0.04
0.48

Ethers
Ethyl Ether R-610.
Phenyl Ether

w14x
w14x

0.37
y2.88

20
12

0.9505
0.5755

y0.5819
2.5541

1.6169
y4.5593

0.21
0.20

Miscellaneous
Ethyl Acetate
Acetone
Acetic Acid
Benzoic Acid
Acetylene

w14x
w14x
w14x
w14x
w14,16x

2.79
3.76
y0.74
y0.17
0.45

22
9
21
4
24

1.1201
1.1165
1.2821
1.6233
0.9542

y0.9315
y1.5473
y0.8636
y3.2886
y2.0340

2.3427
3.6896
0.4781
11.1387
5.4165

0.36
0.77
0.74
0.25
0.43

Compound

Ref.

Olefins, cyclic olefins and diolefins

trans-2-Butene
Isobutylene
1-Pentene
cis-2-Pentene
trans-2-Pentene
1-Hexene
1-Octene
Cyclopentene
Cyclohexene
1,3-Butadiene
Propadiene Allene.
2-Methyl-1,3-Butadiene

n refers to the number of experimental data points used for optimizing c1, c 2 , and c 3.
<
<
AAPDr s 100r n. m
i PCAL ,i y P EXP,i r P EXP,i .

AAPDrb

c3

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

76

Fig. 1. The characteristic parameter d of the NM correlation as a function of reduced temperature experimental data from
Refs. w14,16x.. The larger symbols indicate the values of d that should be used with the NM correlation.

and
nc
y3r4
ry3r4
C ,m s x 1 r C ,1

13.

in Eqs. 9. 13. x i is the mole fraction of component i.

2.2. The proposed generalized saturated liquid density correlation
In order to introduce a generalized correlation in accordance with Eqs. 6. and 7., the dependency
of d on temperature is shown in Fig. 1. It shows clearly the temperature dependency of d . The
optimized ds which should be used with Eq. 6. are also shown in the figure by larger symbols.
Evidently, the optimized ds do not occur at a specified reduced temperature for all the compounds. It
is also clear that the temperature dependency of d is not the same for the given compounds.
Therefore, finding a generalized d would not be an easy task. However, Nasrifar and Moshfeghian w9x
showed that if d had been zero, Eq. 6. reduces to Eq. 7. , and the correlation would have given
relatively accurate predictions of saturated liquid density to within 2% of experimental data.
Consequently, it seems reasonable to express a generalized correlation similar to Eq. 7. .
Even though the use of c1, c 2 and c 3 instead of the acentric factor in Eq. 4. increases the accuracy
of the PSRK EOS for the prediction of vapor pressure, the EOS loses an excellent correlating
parameter, viz., acentric factor. The use of the acentric factor works in the correlation of the
properties of normal fluids. In order to reproduce this factor, the following equation has been defined:
2

v PSRK s log f 0.7 . y 1 / q 10y3 f 0.7 . y 1 . q 10y3 q f 0.7 . y 1 . q f 0.7 . y 1 . q 0.4

14.

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

77

Fig. 2. Pitzer acentric factor w22x vs. PSRK acentric factor Eq. 14..

As is shown in Fig. 2, v PSRK compares well with Pitzer acentric factor for nearly 80 compounds
consisting of non-polar, polar and associating fluids. Because this acentric factor was calculated using
the temperature dependency function of PSRK EOS, it is named as v PSRK . Once, the first correlating
parameter was reproduced, the generalized correlation is proposed by:

rr s

rS
rC

s1 q e1 q e 2 v

2
PSRK

q e5 q e6 v PRSK . 1 y

1y

Tr
f Tr .

Tr
f Tr .

1r3

q e 3 q e 4 v PSRK q a 1Q

q e 7 q e8 v PRSK . 1 y

Tr
f Tr .

a2

. 1y

Tr
f Tr .

2r3

4r3

15.

Q is given by:
Qs

2
r C mq

16.

TC

where m is the dipole moment debye., TC is the critical temperature K. and r C the critical density
kg my3 . . The parameter Q has a value of zero for non-polar compounds. The values of mq for
Table 2
Universal constants of Eq. 15.
e1
e2
e3
e4
e5
e6
e7
e8
a1
a2

1.3116
y0.6263
0.7681
3.8417
y0.7884
y9.0258
1.1188
5.9026
0.07
0.6

78

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

Table 3
Comparison of the predicted results of the generalized correlation with RSD, NM and NM0 correlations
Compound

Ref.

Tr range

AAPDra
GC

NM0

NM

RSD

Halogenated paraffins
Carbon Tetrachloride R-10.
Dichlorofluoromethane R-21.
Difluromethane R-32.
Methyl Chloride R-40.
1,1,2,2-Tetrafluroethane R-134.
Pentafluoroethane R-125.
1,1-Dichloro-1-fluoroethane R-141b.
Monochlorodifluroethane R-142.
1,1,1-Trifluroethane R-143a.
1,3-Dichloro-1,1,2,2,3,3-hexafluoroethane R-216.
1,1,1,2,2-Pentafluoropropane R-245cb.
Octaflurocyclobutane R-C318.
Chloroethane R-160.
Azeotrope of R-12 and R-152a R-500.
Azeotrope of R-12 and R-115 R-502.
Azeotrope of R-23 and R-13 R-503.
Azeotrope of R-12 and R-31 R-505.

w14x
w14,16x
w16,17x
w1416x
w18x
w17,24x
w18,19x
w14x
w17x
w16x
w16,25x
w14,16x
w16x
w15,16x
w15,16x
w15,16x
w15x

27
86
37
120
37
29
50
23
17
19
48
72
18
115
92
56
119

0.490.98
0.441.00
0.530.98
0.420.89
0.510.99
0.650.99
0.520.84
0.590.86
0.660.98
0.510.96
0.450.99
0.510.99
0.530.71
0.530.99
0.480.99
0.540.97
0.440.99

0.18
0.46
0.45
2.00
0.58
0.83
1.17
1.14
2.55
2.47
0.49
0.42
0.95
0.86
0.26
0.81
0.69

0.15
0.68
3.45
4.90
0.50
1.14
0.97
3.08
1.51
2.67
0.51
0.21
2.44
0.96
0.09
0.76
0.76

0.12
0.09
0.40
0.34
0.46
0.40
0.19
1.12
0.45
0.61
0.25
0.19
0.11
0.14
0.09
0.78
0.15

0.15
0.32
0.21
0.25
0.76
0.42
0.18
1.35
0.58
0.16
0.30
0.66
0.12
0.71
0.44
0.72
0.45

Paraffins
n-Pentane
i-Pentane
n-Hexane
n-Heptane
n-Octane
i-Octane
n-Nonane
n-Decane
n-Dodecane
n-Tridecane
n-Tetradecane
n-Pentadecane
n-Hexadecane
n-Heptadecane
n-Octadecane
n-Nonadecane
n-Eichosane

w14x
w14x
w14x
w14,16x
w14,16x
w14x
w14,16x
w14x
w14x
w14x
w14x
w14x
w14x
w14x
w14x
w14x
w14x

34
34
35
63
47
37
29
40
22
24
19
21
21
20
20
19
19

0.300.98
0.330.99
0.340.98
0.340.99
0.420.99
0.340.99
0.440.91
0.410.97
0.410.73
0.400.74
0.490.75
0.440.72
0.430.71
0.470.73
0.460.71
0.460.70
0.460.69

0.23
0.41
0.60
1.41
0.92
1.04
0.27
0.82
0.33
0.89
1.06
0.54
0.75
0.08
0.11
0.51
0.32

0.50
0.34
1.11
1.81
0.89
1.44
0.53
0.74
0.96
1.86
2.78
2.29
2.63
3.22
3.64
3.84
4.05

0.28
0.36
0.27
0.36
0.35
0.27
0.57
0.59
0.97
1.28
0.96
1.40
1.36
1.33
1.37
1.37
1.35

0.27
0.28
0.32
0.35
0.45
1.03
0.52
0.91
0.11
0.14
0.10
0.09
0.18
0.11
0.20
0.14
0.98

Cycloparaffins
Cyclopentane
Methyl Cyclopentane
Ethyl Cyclopentane
Cyclohexane
Methylcyclohexane

w14x
w14x
w14x
w14x
w14x

7
7
5
9
30

0.510.61
0.490.59
0.490.55
0.510.64
0.480.98

0.61
0.10
0.13
0.21
0.59

0.29
0.38
0.66
0.83
0.50

0.03
0.06
0.04
0.02
0.40

0.06
0.03
0.05
0.08
0.48

Olefins, Cyclic olefins and Diolefins

1-Butene
cis-2-Butene

w14x
w14x

11
7

0.460.70
0.520.66

0.98
0.93

1.54
1.61

0.10
0.05

0.06
0.11

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

79

Table 3 continued .
Compound

Ref.

Tr range

AAPDra
GC

NM0

NM

RSD

Olefins, Cyclic olefins and Diolefins

w14x
trans-2-Butene
w14x
Isobutylene
w14x
1-Pentene
w14x
cis-2-Pentene
w14x
trans-2-Pentene
w14x
1-Hexene
w14x
1-Octene
w14x
Cyclopentene
w14x
Cyclohexene
w14,16x
1,3-Butadiene
w14x
Propadiene Allene.
w14x
2-Methyl-1,3-Butadiene

7
9
4
14
14
12
9
5
5
62
5
5

0.520.66
0.490.68
0.600.64
0.430.68
0.430.68
0.540.62
0.460.59
0.560.62
0.500.56
0.290.74
0.510.62
0.580.65

0.92
0.57
1.35
3.28
2.15
0.27
0.52
0.32
0.63
0.24
0.36
1.93

0.57
1.38
1.96
3.74
2.62
0.35
0.42
1.67
0.47
0.19
0.26
2.27

0.19
0.13
0.06
0.09
0.06
0.12
0.24
0.02
0.05
0.22
0.07
0.10

0.12
0.08
0.09
0.06
0.02
0.27
0.06
0.04
0.05
0.15
0.07
0.03

Aromatics
Benzene
Toluene
Ethylbenzene
Isopropylbenzene Cumene.
Biphenyl
Chlorobenzene

w14,16x
w14x
w14x
w14x
w14,16x
w14x

68
22
24
11
27
34

0.500.99
0.310.65
0.300.67
0.430.57
0.450.89
0.430.95

0.67
0.63
1.01
0.97
1.75
1.02

0.86
1.80
0.72
2.12
1.69
1.28

0.53
0.66
0.76
0.17
1.07
0.35

0.47
0.30
0.40
0.05
0.97
0.45

Alcohols
Methanol
1-Propanol
2-Propanol
n-Butanol

w14,16x
w14x
w14x
w14x

63
22
6
6

0.351.00
0.510.97
0.540.60
0.490.55

1.55
1.86
3.20
2.90

0.93
1.15
2.78
1.12

0.99
1.05
0.08
0.06

3.06
1.58
0.25
0.18

Inorganic gases
Chlorine
Carbon Monoxide
Normal Deuterium
Fluorine
Hydrogen Sulfide
Krypton
Xenon
Sulfur Dioxide

w14,16x
w14,16x
w16x
w14,16x
w21x
w14,16x
w14,16x
w14,16x

41
37
18
36
15
35
75
38

0.440.98
0.610.97
0.500.94
0.380.97
0.770.99
0.550.96
0.560.98
0.460.95

0.58
1.44
1.63
0.59
0.93
1.25
2.24
1.12

0.37
0.81
6.01
1.41
1.29
0.35
0.70
1.90

0.24
0.41
0.76
0.22
0.15
0.17
0.46
0.27

0.39
0.61
0.59
0.48
1.04
0.24
0.18
0.55

Ethers
Ethyl Ether R-610.
Phenyl Ether

w14x
w14x

22
15

0.580.99
0.610.79

1.32
3.27

0.28
2.03

0.21
0.29

0.28
0.40

Miscellaneous
Ethyl Acetate
Acetone
Acetic Acid
Benzoic Acid
Acetylene

w14x
w14x
w14x
w14x
w14x

29
9
31
6
26

0.520.67
0.540.69
0.491.00
0.540.60
0.620.97

0.75
1.74
1.93
1.67
0.51

1.52
2.79
0.70
0.18
0.54

0.31
0.07
0.40
0.06
0.45

0.37
0.17
2.59
0.14
0.42

<
<
AAPDr s 100r n. m
i r CAL ,i y r EXP,i r r EXP,i .

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

80

many compounds were given elsewhere w22,23x. The constants a 1, a 2 and e1 to e8 are universal and
were optimized using Eq. 8. and nonlinear regression package w13x for nearly 1000 experimental data
points. These constants are provided in Table 2.

3. Results and discussions

3.1. Pure compounds
In order to evaluate the accuracy of the proposed generalized correlation, Eq. 15., a data bank
containing experimental data for several classes of chemical compounds was composed. These
compounds belong to the classes of paraffins, halogenated paraffins, cycloparaffins, olefins, diolefins,
cyclic olefins, alcohols, ethers, liquefied inorganic gases and others. Then the saturated liquid density
of compounds is predicted and compared with experimental data. Table 3 presents these comparisons
in terms of Average Absolute Percent Deviation AAPD. . In addition, the AAPDs of Rackett
correlation modified by Spencer and Danner RSD. w49x, the NM correlation, Eqs. 6. and 7. , with d
given in Table 1 and with zero d , NM0, are also given. Obviously, the NM and RSD correlations
with an adjustable parameter for each compound are the best methods for calculating the saturated
Table 4
Average Absolute Percent Deviation AAPDr . a for the prediction of the saturated liquid densities of different classes of
compounds using different methods
Class

No. of
n
compounds

Paraffins
22
Cycloparaffins
5
Halogenated Paraffins
30
Olefins, Cyclic Olefins
16
and Diolefins
Aromatics
6
Ethers
2
Liquefied Inorganic Gases 14
Alcohols
4
Miscellaneous
5
Overall
104
a

GC b NM0 c NM d RSD e Rackett f RYG g Riedel h YW i LEP j Bhirud k

944
58
2201
335

0.75
0.43
0.80
1.57

1.31
0.52
1.40
1.87

0.54
0.22
0.33
0.36

0.35
0.28
0.48
0.39

3.69
0.83
1.89
3.09

3.01
0.60
2.44
1.64

3.04
0.75
1.37
3.21

2.09
1.03
2.23
3.21

4.37
0.72
1.76
2.76

2.01
0.55
2.65
1.41

186
37
786
97
101
4745

0.95
2.11
1.13
1.81
1.19
0.94

1.22
0.99
1.60
1.11
1.04
1.42

0.60
0.24
0.33
0.89
0.34
0.39

0.48
0.33
0.44
2.37
1.03
0.49

1.60
2.94
1.76
6.89
6.76
2.50

4.61
4.96
3.57
9.07
8.08
3.02

1.35
3.71
1.45
2.17
1.89
1.88

1.74
2.54
1.56
2.33
1.40
2.11

2.49
3.30
2.03
5.62
2.14
2.51

4.34
4.74
2.64
9.35
8.61
2.75

<
<
AAPDr s 100r n. m
i r CAL ,i y r EXP,i r r EXP,i .
Generalized correlation.
c
Nasrifar and Moshfeghian w9x with zero d .
d
Nasrifar and Moshfeghian w9x.
e
Rackett correlation modified by Spencer and Danner w49x.
f
Rackett w50x.
g
Rackett correlation modified by Yamada and Gunn w51x.
h
Riedel w52x.
i
Yen and Woods w53x.
j
Lyckman et al. w54x.
k
Bhirud w55,56x.
b

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

81

Fig. 3. Deviation plots of normal paraffins using the generalized correlation experimental data from Refs. w14,16x..

liquid density of the pure compounds. However, the generalized correlation, GC, is superior with
respect to NM0, specially, for paraffins and their halogenated derivatives.
Table 4 presents the average of AAPDs for different classes of compounds using the generalized
correlation, NM, NM0, RSD, Rackett correlation w50x, Rackett correlation modified by Yamada and
Gunn w51x, Riedel correlation w52x, Yen and Woods correlation w53x, Lyckman et al. w54x Correlation
and Bhirud correlations w55,56x. The results were averaged for the 78 compounds given in Table 3 and
26 compounds given by Nasrifar and Moshfeghian w9x. These 26 compounds are predominately light
paraffins, light olefins, halogenated paraffins and liquefied inorganic gases. It is seen that the NM
correlation is superior with respect to the other methods; however, the values of 0.94 and 1.42 are
quite good for the generalized method, GC, and NM0. As indicated in Table 4, these two generalized
correlations are better than the other generalized correlations used for the comparison. This means that
the same parameters used for the calculation of the vapor pressure, the saturated liquid density can
also be predicted using the PSRK EOS with an AAPD of 1.42 if NM correlation with zero d is used
and that this error reduces to 0.94 if the proposed generalized correlation, Eq. 15. , is used. For the
generalized correlation an additional property, the dipole moment, which is available in literature, is
also needed, although for non-polar compounds it vanishes.
Fig. 3 is a deviation plot for the generalized correlation for the prediction of saturated liquid
density of paraffinic hydrocarbons given in Table 3. They are non-polar compounds and hence they
have zero dipole moments. So the term in Eq. 15. containing dipole moment vanishes. Fig. 3 shows
the Liquid Density Percent Deviation LDPD. as a function of reduced temperature for different
paraffinic compounds. LDPD is defined by:
r CAL y r EXP
LDPDs 100
17.
r EXP

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

82

Fig. 4. Deviation plots of halogenated hydrocarbons using the generalized correlation experimental data from Refs.
w1416,18,25x..

The total number of points shown in Fig. 3 is 178 and the average of LDPDs is y0.30. The
maximum deviations with respect to experimental data occurred for n-heptane with an average value
of y1.33% and the smallest errors for n-octadecane and n-pentane with average values of 0%.
Fig. 4 demonstrates the LDPDs of the generalized correlation for the prediction of the saturated
liquid density of halogenated hydrocarbons. Except for CCl 4 these compounds have non-zero dipole
moments. The total number of points shown in Fig. 4 is 230 with an average of deviations of
y0.28%. The maximum deviations occurred for CH 3 Cl for an average value of LDPD equal to
y1.70 and the smallest deviations for CHFCl 2 with an average of LDPD equal to y0.05.
3.2. Extension to mixtures
In order to extend the generalized correlation to multi-component mixtures, first, Eq. 6. is solved
for d ,
rr ,irr 0,i y 1
d i Tr . s
18.
1r3
f i Tr . y 1 .
where the functions r 0,i and f i Tr . were given by Eqs. 7. and 4., respectively, and the parameter rr, j
is predicted by Eq. 15. . The subscript i indicates that Eq. 18. must be evaluated for each component
of a mixture at the given temperature of the mixture. Having predicted the d i Tr . of the components of
the mixture at the given mixture temperature, the mixture characteristic parameter, dm Tr . is
calculated using the following mixing rule,
nc

dm Tr . s x i d i Tr .
i

19 .

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

83

Table 5
Comparison of the ability of different methods for prediction of the saturated liquid density of multi-component systems
System
Systems containing hydrocarbons
C 1 qC 2
C 1 qC 3
C 1 qiC 4
C 1 qnC 4
C 1 qC 2 qC 3 qiC 4
C 1 qC 2 qC 3 qiC 4 nC 4 qiC 5 qnC 5
C 1 qC 2 qC 3
C 1 qC 2 qC 3 qiC 4 qnC 4
C 1 qC 2 qC 3 qnC 4
C 6 H 6 qnC 4
cyc-C 6 H 12 qC 3
C 6 H 6 qC 3
1-C 4 H 8 qC 3 H 6
C 3 qnC 8
nC 4 qnC 8
C 1 qnC 4
C 2 qC 3
C 2 qiC 4
C 2 qnC 4
C 3 qiC 4
C 3 qnC 4
iC 4 qnC 4
C 6 H 6 qcyc-C 6 H 12
nC 6 qcyc-C 6 H 12
cyc-C 6 H 12 qnC 7
cyc-C 6 H 12 qnC 8
cyc-C 6 H 12 qnC 9
cyc-C 6 H 12 qnC 10
nC 5 qnC 6
nC 5 qnC 7
nC 5 qnC 8
nC 5 qnC 9
nC 5 qnC 10
nC 5 qnC 12
nC 5 qnC 16
nC 6 qnC 7
nC 6 qnC 8
nC 6 qnC 9
nC 6 qnC 10
nC 6 qnC 12
nC 6 qnC 16
nC 7 qnC 8
nC 7 qnC 9
nC 7 qnC 10

39
32
24
23
9
9
14
12
9
10
11
32
13
10
20
8
12
6
8
8
8
4
11
78
33
33
33
33
11
11
11
11
11
11
11
11
11
11
11
11
11
11
11
11

Tr Range
k.

Ref.

91140
91130
95140
115140
115135
110125
100125
105130
115135
225270
195245
200477
277344
351500
347539
105140
105140
105130
115140
105130
110150
125140
298.15
283313
298308
298308
298308
298308
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15

w27,28x
w27,28x
w27,29x
w2729x
w30x
w30x
w28,31x
w28,31x
w30x
w32x
w32x
w32,33x
w34x
w35x
w35x
w27x
w27x
w27x
w27x
w27x
w27x
w27x
w36x
w36,37x
w36x
w37x
w37x
w37x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x

GC
APD

NM
a

y0.27
0.26
y0.28
y1.44
y0.31
0.23
0.08
y0.20
y0.24
1.83
0.35
y0.34
y2.62
y4.27
y2.51
y0.52
y0.14
y0.77
y0.02
y0.98
0.19
y0.94
0.37
y0.14
y0.03
y0.09
0.31
0.25
y0.26
y0.62
y0.21
0.05
y0.06
0.22
1.33
y0.89
y0.52
y0.28
y0.38
y0.14
0.83
y0.89
y0.67
y0.79

CORGC

AAPDrb

APD

AAPDr

APD

AAPDr

0.34
0.28
0.38
1.44
0.31
0.45
0.10
0.21
0.26
1.83
0.35
1.15
2.61
4.27
2.51
0.55
0.16
0.77
0.12
0.98
0.32
0.94
0.40
0.17
0.18
0.25
0.40
0.44
0.27
0.63
0.22
0.12
0.19
0.38
1.33
0.89
0.52
0.28
0.38
0.22
0.93
0.89
0.67
0.79

0.12
0.08
0.14
y1.01
y0.22
0.29
0.17
y0.15
y0.25
1.84
0.21
y0.31
y0.90
y3.83
y2.29
y0.59
0.35
1.03
0.67
0.16
y0.55
0.02
0.76
0.38
0.91
0.39
0.40
0.33
0.36
0.39
0.30
0.22
0.11
0.15
0.16
0.39
0.26
0.17
0.06
0.06
y0.07
0.29
0.18
0.06

0.19
0.16
0.42
1.01
0.24
0.43
0.17
0.17
0.26
1.84
0.21
1.07
0.90
3.83
2.29
0.60
0.35
1.03
0.67
0.19
0.55
0.11
0.76
0.38
0.91
0.39
0.46
0.50
0.36
0.39
0.30
0.31
0.36
0.57
1.29
0.39
0.26
0.25
0.32
0.51
1.18
0.29
0.27
0.34

y0.21
y0.10
1.76
y0.62
1.01
0.50
0.01
0.17
y0.18
0.53
y1.23
2.20
1.52
y0.16
y1.96
y1.26
y0.25
2.94
y0.72
y2.54
y1.06
y3.42
y0.84
y0.40
0.29
0.14
0.56
1.00
0.01
0.16
0.43
0.75
1.13
2.05
3.90
y0.12
0.07
0.35
0.68
1.49
3.15
0.02
0.24
0.52

0.26
0.26
1.76
0.62
1.01
0.52
0.20
0.20
0.18
0.66
1.23
2.20
1.52
1.70
2.56
1.26
0.28
2.94
0.72
2.54
1.06
3.42
0.84
0.40
0.49
0.33
0.69
1.13
0.09
0.19
0.43
0.75
1.13
2.05
3.90
0.12
0.13
0.38
0.71
1.53
3.18
0.07
0.26
0.54

(continued on next page)

84

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

Table 5 continued .
System

Tr Range Ref.
k.

GC
APD

NM
a

CORGC

AAPDrb

APD

AAPDr APD

AAPDr

Systems containing hydrocarbons

nC 7 qnC 12
nC 7 qnC 16
nC 8 qnC 9
nC 8 qnC 10
nC 8 qnC 12
nC 8 qnC 16
nC 9 qnC 10
nC 9 qnC 12
nC 9 qnC 16
nC 10 qnC 12
nC 10 qnC 16
nC 12 qnC 16
Average

11
11
11
11
11
11
11
11
11
11
11
11

298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15
298.15

w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x
w38x

y0.59
0.33
y0.40
y0.55
y0.41
0.40
y0.41
y0.09
0.40
y0.55
0.08
y0.10
y0.27

0.59
0.63
0.40
0.55
0.41
0.52
0.41
0.45
0.44
0.55
0.25
0.17
0.59

0.03
y0.14
y0.10
y0.25
y0.36
y0.67
y0.48
y0.44
y1.10
y0.90
y1.44
y1.92
y0.04

0.50
1.14
0.12
0.27
0.39
0.92
0.48
0.69
1.10
0.90
1.44
1.92
0.63

1.22
2.75
0.26
0.49
1.11
2.48
0.56
1.32
2.35
1.15
2.26
2.33
0.51

1.25
2.77
0.26
0.49
1.11
2.48
0.56
1.32
2.35
1.15
2.26
2.33
1.00

Systems containing paraffins and Nitrogen

N2 qC 1
N2 qC 2
N2 qC 3
N2 qC 1 qnC 4
N2 qC 1 qC 2 qC 3 qiC 4
N2 qC 1 qC 2
N2 qC 1 qC 3
N2 qC 1 qC 2 qC 3
N2 qC 1 qC 2 qC 3 qiC 4
N2 qC 1 qC 2 qC 3 qnC 4
N2 qC 1 qC 2 qC 3 qiC 4 qnC 4
N2 qC 1 qC 2 qC 3 qiC 4 qnC 4 qiC 5 qnC 5
Average

29
4
6
4
4
11
4
4
4
6
15
13

91140
105120
105115
110125
115130
91120
105120
105120
105120
105130
105130
110130

w27,28x
w27x
w27x
w30x
w30x
w28,31x
w28,31x
w31x
w31x
w30,31x
w30x
w30x

0.72
y0.62
0.02
0.25
y0.12
0.25
0.37
0.22
0.14
0.09
y0.14
y0.18
0.20

0.76
0.62
0.05
0.25
0.17
0.27
0.37
0.22
0.19
0.25
0.23
0.20
0.39

0.62
0.62
y0.71
0.15
y0.05
0.37
0.25
0.19
0.22
0.07
y0.12
y0.10
0.20

0.65
0.62
0.71
0.17
0.15
0.37
0.25
0.19
0.23
0.23
0.22
0.17
0.39

0.29
y0.55
y0.96
1.60
1.11
0.26
y0.15
y0.01
0.84
y0.09
0.17
0.23
0.21

0.44
0.55
0.96
1.60
1.11
0.43
0.15
0.13
0.84
0.16
0.17
0.23
0.45

w39x
w21x
w40x
w41x
w41x
w42x
w43x
w44x

1.52
1.07
y2.36
3.85
5.55
4.15
2.01
y2.29
0.85

1.95
2.11
2.62
4.25
5.55
4.15
3.33
2.29
3.03

2.52
1.18
y2.19
4.66
5.46
5.11
2.88
y1.26
1.49

2.56
1.63
2.35
4.70
5.46
5.11
4.05
1.51
3.14

39 280340 w45x
43 220340 w45x
23 280340 w45x

y0.49
0.61
1.15
0.32

0.61
0.61
1.15
0.73

0.11
0.84
1.54
0.72

0.21
0.84
1.54
0.76

Systems containing hydrogen sulfide or carbon dioxide

H 2 SqnC 10
21 277444
CO 2 qH 2 S
11 275320
CO 2 qnC 10
33 302403
C 3 qH 2 S
14 277350
C 3 qCO 2
8 277344
C 2 qH 2 S
18 276340
H 2 SqnC5
12 277344
N2 qH 2 S
20 256321
Average
Systems of halogenated paraffins
R-125qR-134a
R-32qR-134a
R-32qR-125qR-134a
Average

2.78 3.26
y4.38 4.38
11.02 11.02
y3.06 3.09
y12.09 12.39
y3.70 4.20
0.08 1.75
y0.05 1.16
1.22 5.42

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

85

Table 5 continued .
System
Systems containing alcohol
1-C 3 H 7 OHqnC 7
1-C 4 H 9 OHqnC 7
1-C 4 H 9 OHqnC 5
1-C 4 H 9 OHqnC 6
1-C 4 H 9 OHqnC 8
CH 3 . 2 COq1-C 3 H 7 OH
CH 3 OHq1-C 3 H 7 OH
CH 3 . 2 COq1-C 3 H 7 OHqCH 3 OH
Average

24
40
17
17
17
17
25
54

Tr Range
k.

Ref.

298308
298308
298.15
298.15
298.15
298.15
298.15
298.15

w46x
w46,47x
w47x
w47x
w47x
w48x
w48x
w48x

GC

NM

CORGC

APD a

AAPDrb

APD

AAPDr

1.76
1.73
2.51
2.19
2.11
2.69
3.20
3.07
2.46

1.96
1.82
2.51
2.19
2.11
2.69
3.20
3.07
2.50

2.17
1.10
1.54
1.31
1.10
1.24
2.17
1.76
1.58

2.17
1.11
1.54
1.31
1.10
1.24
2.17
1.76
1.58

APD

AAPDr

APDs 100r n. ni r CAL ,i y r EXP,i .r r EXP,i .

AAPDr s 100r n. ni < r CAL ,i y r EXP,i <r r EXP,i .

The mixture liquid density can then be predicted at that temperature using the NM correlation, Eqs.
6. and 7., and the relevant mixing rules, Eqs. 9. , 11. 13. . In fact, Eq. 10. should only be
replaced with Eq. 19.. Therefore, the only difference between the NM correlation and the generalized
correlation for the prediction of the saturated liquid density of mixtures is that the former uses a
constant d parameter for each compound at the given temperature range while the latter uses a
variable temperature dependent d parameter. However, in cases in which the critical temperature of
some of the components of a mixture are smaller than the temperature the mixture TmrTC,i ) 1., Eq.

Fig. 5. Deviation plots for binary mixtures of nitrogen q methane, qethane, qpropane using the generalized correlation
experimental data from Refs. w27,28x..

86

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

18. is not valid anymore. In these cases, it is recommended that d i Tr . is evaluated at Tr of 0.95 for
these components. Again, Eq. 18. is valid for components with the critical temperatures larger than
the mixture temperature TmrTC,i - 1..
Using the above methodology, the saturated liquid density of 87 multi-component systems with a
total of 1407 experimental data points was predicted. The predictions of the original NM correlation
using constant d and those from the CORGC EOS were also presented in Table 5. For predicting the
saturated liquid density of mixtures using the CORGC EOS, the group parameters of Pults et al. w2x
and mixing rules of Nasrifar and Moshfeghian w26x were used. Table 5 indicates that the CORGC
EOS is not applicable for systems containing halogenated paraffins and alcohols. In fact, the group
parameters of the EOS have not been reported yet. For 76 systems that the three methods were
applicable for the prediction of the saturated liquid density, the AAPDs of the generalized method
GC., NM, and the CORGC EOS were 0.88, 0.92 and 1.50, respectively. The total number of
experimental data points used for the comparison was 1091. The Average of Percent Deviations
APDs. were also y0.08, 0.18 and 0.57, respectively. These mean that the generalized method is
more accurate and closer to the experimental data in mixtures containing hydrocarbons, nitrogen, CO 2
or H 2 S than the original NM correlation and the CORGC EOS. Table 5 also indicates that the
generalized method predicts the saturated liquid density of halogenated paraffinic mixtures better than
NM correlation but for systems containing alcohols the NM correlation is much better. Overall, for all
87 multi-component systems 1407 experimental data points. , the AAPD and APD of the generalized
method are 1.11 and 0.33, and for NM correlation 1.01 and 0.43, respectively. It is seen that the
superiority of the NM correlation results from the predictions for systems containing alcohols.
Figs. 5 and 6 show deviation plots of non-polar and polar mixtures in case the generalized method
is used for prediction of saturated liquid density. Fig. 5 shows the LDPD of different mixtures as a

Fig. 6. Deviation plots for refrigerant mixtures using the generalized correlation experimental data from Ref. w45x..

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

87

function of temperature for systems consisting of nitrogen with methane, ethane and propane. The
total number of points for these systems is 32 with the smallest bias for nitrogenq propane and the
largest biases for nitrogenq methane. Fig. 6 presents the LDPD of different mixtures of R-134a with
R-125 and R-32. The total number of points is 43 and on average R-125q R-134a system has a better
bias with respect to experimental data than R-32 q R-134a. The average values of LDPDs for systems
shown in Figs. 5 and 6 were given in Table 5.

4. Conclusion
The liquid density correlation by Nasrifar and Moshfeghian w9x has been generalized. In addition to
TC , r C and the parameters of the Mathias and Copeman w12x function for the PSRK EOS c1, c 2 and
c 3 ., the dipole moment is the only other property that is required for the prediction of saturated liquid
density. Using this correlation the calculated AAPD for the prediction of 4745 experimental data
points for 104 compounds was 0.94.
For a non-polar compound, the dipole moment is zero. This means that for the same properties
required to predict vapor pressure of pure compounds using the PSRK EOS, the saturated liquid
density of the compounds can also be predicted accurately by use of the generalized correlation.
It was shown that the d parameter is temperature dependent. The temperature dependency of d
could be predicted by use of the generalized and NM correlations. Once d of each component of a
mixture was predicted at the given temperature of mixture, the saturated liquid density of the mixture
could be predicted using NM correlation and mixing rules. In this way, the predicted saturated liquid
density of 87 systems consisting of 1407 data points was within 1.11% of experimental data. It should
be noted that none of the mixture experimental data were used in developing the generalized model
parameters.
List of symbols
a
AAPD
APD
b
c1 , c 2 , c 3
CORGC
d1,d 2 ,d 3 ,d 4
e1,e 2 ,e 3 ,e 4 ,e5 ,e6 ,e 7 ,e8
EOS
f
GC
LDPD
LEP
n
nc

attraction parameter in the PSRK EOS, Pa m6rkmol 2

Average Absolute Percent Deviation
Average Percent Deviation
excluded molar volume in the PSRK EOS, m3rkmol
parameters of Mathias and Copeman equation, Eq. 4., based on PSRK EOS
Chain-of-Rotator-Group-Contribution
universal constants in Eq. 7.
universal constants in Eq. 15.
Equation of State
temperature dependent function given by Eq. 4.
Generalized Correlation
Liquid Density Percent Deviation
LyckmanEckertPrausnitz
number of points
number of components

Kh. Nasrifar et al.r Fluid Phase Equilibria 168 (2000) 7190

88

NM
NM0
P
PSRK
R
RSD
RYG
SRK
T

x
YW

NasrifarMoshfeghian
NasrifarMoshfeghian correlation with d s 0
pressure, Pa
Predictive-SoaveRedlichKwong
universal gas constant, 8314 Pa m3rkmol K
RackettSpencerDanner
RackettYamadaGunn
SoaveRedlichKwong
temperature, K
molar volume, m3rkmol
mole fraction
YenWoods

Greek letters
a 1, a 2
d
mq
Q
r
v PSRK
V

universal constants in Eq. 15.

characteristic parameter for each component
dipole moment, debye
parameter given by Eq. 16.
molar liquid density
acentric factor based on PSRK EOS
objective function

Superscripts
C
CAL
EXP
i, j
m
P
r
S
r

critical
calculated
experimental
dummy indices
mixture
pressure
reduced
saturated
density

Acknowledgements
The authors wish to express their appreciation to the School of Engineering for use of computer
facilities and the financial support of the Vice-Chancellor for Research of Shiraz University.

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