File:C:\Users\Gui\Documents\Mestrado\P1 - completa - C3H8.

EES 01/10/2018 14:18:28 Page 1

9.944: #4402: EASY ENGINEERING, https://www.youtube.com/channel/UCjC8ulmve2QNRJXhDpk-L2A+ CN xJID_JLN yNINGGBDE CJH@NYX _N

1: "----------------------------------------------------------------------------------------------------------------"
2: "C3H8 + 5O2 --> aCO2 + bCO + cO2 + dH2O + eH2"
3: "----------------------------------------------------------------------------------------------------------------"
4:
5: "BC"
6: 3 = Na+Nb
7:
8: "BO"
9: 10 = 2*Na + Nb + 2*Nc + Nd
10:
11: "BH"
12: 10 = 2*Nd + 2*Ne
13:
14:
15: P_0 = Po#
16: X_CO2 = Na/N_p
17: X_CO = Nb/N_p
18: X_O2 = Nc/N_p
19: X_H2O = Nd/N_p
20: X_H2 = Ne/N_p
21:
22: N_p = Na + Nb + Nc + Nd + Ne
23:
24: Ru = R#
25:
26: row = LookupRow('gibbs';1; Tad)
27:
28: Tref = 298 [K]
29:
30: mw_CO2 = 44 [kg/kmol]
31: mw_CO = 28 [kg/kmol]
32: mw_H2O = 18 [kg/kmol]
33: mw_H2 = 2 [kg/kmol]
34: mw_O2 = 32 [kg/kmol]
35: mw_C3H8 = 44 [kg/kmol]
36:
37: "-----------------------------------------------------------------------------------------------------------------"
38: "CO2 <--> CO + 1/2O2"
39: "----------------------------------------------------------------------------------------------------------------"
40:
41: kp_CO2 = (X_CO * X_O2^(1/2)) / X_CO2 * 1/P_0^(1/2 )
42:
43: kp_CO2 = exp(-Delta_G_CO2/(Ru * Tad))
44:
45: Delta_G_CO2 = gibbs_CO + gibbs_O2/2 - gibbs_CO2
46:
47:
48:
49: "-----------------------------------------------------------------------------------------------------------------"
50: "H2O<--> H2 + 1/2O2"
51: "----------------------------------------------------------------------------------------------------------------"
52:
53: kp_H2O = (X_H2 * X_O2^(1/2)) / X_H2O * 1/P_0^(1/2)
54:
55: kp_H2O = exp(-Delta_G_H2O/(Ru * Tad))
56:
57: Delta_G_H2O = gibbs_H2 + gibbs_O2/2 - gibbs_H2O
58:
59:
60:
61: gibbs_CO2 = lookup('gibbs'; row; 'CO2')
 File:C:\Users\Gui\Documents\Mestrado\P1 - completa - C3H8.EES 01/10/2018 14:18:28 Page 2
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62: gibbs_CO = lookup('gibbs'; row; 'CO')

63: gibbs_H2 = lookup('gibbs'; row; 'H2')
64: gibbs_H2O = lookup('gibbs'; row; 'H2O')
65: gibbs_O2 = lookup('gibbs'; row; 'O2')
66:
67:
68:
69: "-----------------------------------------------------------------------------------------------------------------"
70: "1a Lei"
71: "----------------------------------------------------------------------------------------------------------------"
72:
73:
74: h_0_CO2=enthalpy_formation(CO2)
75: h_0_H2=enthalpy_formation(H2)
76: h_0_H2O=enthalpy_formation(H2O)
77: h_0_O2=enthalpy_formation(O2)
78: h_0_C3H8=enthalpy_formation(C3H8)
79: h_0_CO=enthalpy_formation(CO)
80:
81: cp_CO2=lookup('cp'; row; 'CO2')
82: cp_H2=lookup('cp'; row; 'H2')
83: cp_H2O=lookup('cp'; row; 'H2O')
84: cp_O2=lookup('cp'; row; 'O2')
85: cp_CO=lookup('cp'; row; 'CO')
86:
87:
88: (h_0_C3H8) + 5*(h_0_O2) = Na*(h_0_CO2 + cp_CO2) + Nb*(h_0_CO + cp_CO) + Nc*(h_0_O2 + cp_O2) + Nd*(h_0_H2O
+ cp_H2O) + Ne*(h_0_H2 + cp_H2)
89:
90: "-----------------------------------------------------------------------------------------------------------------"
91: "Para phi = 0,6"
92: "----------------------------------------------------------------------------------------------------------------"
93:
94: AF_st = 5*mw_O2 / mw_C3H8
95:
96: 0,6 = AF_st / AF

----------------------------------------------------------------------------------------------------------------

C3H8 + 5O2 --> aCO2 + bCO + cO2 + dH2O + eH2

----------------------------------------------------------------------------------------------------------------

BC

3 = Na + Nb

BO

10 = 2 · Na + Nb + 2 · Nc + Nd

BH

10 = 2 · Nd + 2 · Ne

P 0 = 101,3 [kPa]

Na
X CO2 =
Np
 File:C:\Users\Gui\Documents\Mestrado\P1 - completa - C3H8.EES 01/10/2018 14:18:29 Page 3
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Nb
X CO =
Np

Nc
X O2 =
Np

Nd
X H2O =
Np

Ne
X H2 =
Np

N p = Na + Nb + Nc + Nd + Ne

Ru = 8,314 [kJ/kmol-K]

row = LookupRow 'gibbs'; 'Temperature'; Tad

Tref = 298 [K]

mw CO2 = 44 [kg/kmol]

mw CO = 28 [kg/kmol]

mw H2O = 18 [kg/kmol]

mw H2 = 2 [kg/kmol]

mw O2 = 32 [kg/kmol]

mw C3H8 = 44 [kg/kmol]

-----------------------------------------------------------------------------------------------------------------

CO2 <--> CO + 1/2O2

----------------------------------------------------------------------------------------------------------------

1 / 2
X CO · X O2 1
kp CO2 = ·
X CO2 P0
1 / 2

– d G;CO2
kp CO2 = exp
Ru · Tad

gibbs O2
d G;CO2 = gibbs CO + – gibbs CO2
2

-----------------------------------------------------------------------------------------------------------------

H2O<--> H2 + 1/2O2

----------------------------------------------------------------------------------------------------------------

1 / 2
X H2 · X O2 1
kp H2O = ·
X H2O P0
1 / 2

– d G;H2O
kp H2O = exp
Ru · Tad
 File:C:\Users\Gui\Documents\Mestrado\P1 - completa - C3H8.EES 01/10/2018 14:18:29 Page 4
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gibbs O2
d G;H2O = gibbs H2 + – gibbs H2O
2

gibbs CO2 = Lookup 'gibbs'; row ; 'CO2'

gibbs CO = Lookup 'gibbs'; row ; 'CO'

gibbs H2 = Lookup 'gibbs'; row ; 'H2'

gibbs H2O = Lookup 'gibbs'; row ; 'H2O'

gibbs O2 = Lookup 'gibbs'; row ; 'O2'

-----------------------------------------------------------------------------------------------------------------

1a Lei

----------------------------------------------------------------------------------------------------------------

h 0;CO2 = Enthalpyformation CO2

h 0;H2 = Enthalpyformation H2

h 0;H2O = Enthalpyformation H2O

h 0;O2 = Enthalpyformation O2

h 0;C3H8 = Enthalpyformation C3H8

h 0;CO = Enthalpyformation CO

cp CO2 = Lookup 'Cp'; row ; 'CO2'

cp H2 = Lookup 'Cp'; row ; 'H2'

cp H2O = Lookup 'Cp'; row ; 'H2O'

cp O2 = Lookup 'Cp'; row ; 'O2'

cp CO = Lookup 'Cp'; row ; 'CO'

h 0;C3H8 + 5 · h 0;O2 = Na · h 0;CO2 + cp CO2 + Nb · h 0;CO + cp CO + Nc · h 0;O2 + cp O2 + Nd · h 0;H2O

+ cp H2O + Ne · h 0;H2 + cp H2

-----------------------------------------------------------------------------------------------------------------

Para phi = 0,6

----------------------------------------------------------------------------------------------------------------

mw O2
AF st = 5 ·
mw C3H8

AF st
0,6 =
AF

SOLUTION
 File:C:\Users\Gui\Documents\Mestrado\P1 - completa - C3H8.EES 01/10/2018 14:18:29 Page 5
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Unit Settings: SI K kPa kJ molar deg

AF = 6,061 AFst = 3,636
cpCO = 91952 [kJ/kmol] cpCO2 = 150740 [kJ/kmol]
cpH2 = 90428 [kJ/kmol] cpH2O = 129215 [kJ/kmol]
cpO2 = 98126 [kJ/kmol] dG,CO2 = 39121 [kJ/kmol]
dG,H2O = 81326 [kJ/kmol] gibbsCO = -353842 [kJ/kmol]
gibbsCO2 = -392962 [kJ/kmol] gibbsH2 = 0 [kJ/kmol]
gibbsH2O = -81326 [kJ/kmol] gibbsO2 = 0 [kJ/kmol]
h0,C3H8 = -104674 [kJ/kmol] h0,CO = -110528 [kJ/kmol]
h0,CO2 = -393486 [kJ/kmol] h0,H2 = 0 [kJ/kmol]
h0,H2O = -241811 [kJ/kmol] h0,O2 = 0 [kJ/kmol]
kpCO2 = 0,1983 kpH2O = 0,03463
mwC3H8 = 44 [kg/kmol] mwCO = 28 [kg/kmol]
mwCO2 = 44 [kg/kmol] mwH2 = 2 [kg/kmol]
mwH2O = 18 [kg/kmol] mwO2 = 32 [kg/kmol]
Na = 0,5348 Nb = 2,465
Nc = 1,847 Nd = 2,77
Ne = 2,23 Np = 9,847
P0 = 101,3 [kPa] row = 20,08
Ru = 8,314 [kJ/kmol-K] Tad = 2908 [K]
Tref = 298 [K] XCO = 0,2503
XCO2 = 0,05431 XH2 = 0,2264
XH2O = 0,2813 XO2 = 0,1876

No unit problems were detected.

Lookup Table: gibbs

Temperature CO CO2 H2 H2O O2
[K] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol]

Row 1 1000 -200238 -396056 0 -192652 0

Row 2 1100 -208287 -395894 0 -186819 0
Row 3 1200 -216335 -395732 0 -180985 0
Row 4 1300 -224384 -395570 0 -175152 0
Row 5 1400 -232433 -395408 0 -169318 0
Row 6 1500 -240482 -395246 0 -163485 0
Row 7 1600 -248530 -395083 0 -157652 0
Row 8 1700 -256579 -394921 0 -151818 0
Row 9 1800 -264628 -394759 0 -145985 0
Row 10 1900 -272676 -394597 0 -140151 0
Row 11 2000 -280725 -394435 0 -134318 0
Row 12 2100 -288774 -394273 0 -128485 0
Row 13 2200 -296822 -394111 0 -122651 0
Row 14 2300 -304871 -393949 0 -116818 0
Row 15 2400 -312920 -393787 0 -110984 0
Row 16 2500 -320969 -393625 0 -105151 0
Row 17 2600 -329017 -393462 0 -99318 0
Row 18 2700 -337066 -393300 0 -93484 0
Row 19 2800 -345115 -393138 0 -87651 0
Row 20 2900 -353163 -392976 0 -81817 0
Row 21 3000 -361212 -392814 0 -75984 0
Row 22 3100 -369261 -392652 0 -70151 0
Row 23 3200 -377309 -392490 0 -64317 0
Row 24 3300 -385358 -392328 0 -58484 0
Row 25 3400 -393407 -392166 0 -52650 0
Row 26 3500 -401456 -392004 0 -46817 0
Row 27 3600 -409504 -391841 0 -40984 0
Row 28 3700 -417553 -391679 0 -35150 0
Row 29 3800 -425602 -391517 0 -29317 0
 File:C:\Users\Gui\Documents\Mestrado\P1 - completa - C3H8.EES 01/10/2018 14:18:29 Page 6
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Lookup Table: gibbs

Temperature CO CO2 H2 H2O O2
[K] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol]

Row 30 3900 -433650 -391355 0 -23483 0

Row 31 4000 -441699 -391193 0 -17650 0
Row 32 4100 -449748 -391031 0 -11817 0
Row 33 4200 -457796 -390869 0 -5983 0
Row 34 4300 -465845 -390707 0 -149,8 0
Row 35 4400 -473894 -390545 0 5684 0
Row 36 4500 -481943 -390383 0 11517 0
Row 37 4600 -489991 -390220 0 17350 0
Row 38 4700 -498040 -390058 0 23184 0
Row 39 4800 -506089 -389896 0 29017 0
Row 40 4900 -514137 -389734 0 34851 0
Row 41 5000 -522186 -389572 0 40684 0

Lookup Table: Cp
Temperature CO CO2 H2 H2O O2
[K] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol]

Row 1 1000 21697 33425 20664 25993 22721

Row 2 1100 25378 39572 24320 31402 26672
Row 3 1200 29060 45719 27975 36811 30623
Row 4 1300 32741 51867 31631 42219 34574
Row 5 1400 36422 58014 35286 47628 38526
Row 6 1500 40103 64161 38942 53037 42477
Row 7 1600 43785 70308 42597 58446 46428
Row 8 1700 47466 76455 46253 63854 50379
Row 9 1800 51147 82603 49908 69263 54330
Row 10 1900 54828 88750 53564 74672 58281
Row 11 2000 58510 94897 57220 80081 62233
Row 12 2100 62191 101044 60875 85489 66184
Row 13 2200 65872 107191 64531 90898 70135
Row 14 2300 69554 113339 68186 96307 74086
Row 15 2400 73235 119486 71842 101716 78037
Row 16 2500 76916 125633 75497 107124 81988
Row 17 2600 80597 131780 79153 112533 85939
Row 18 2700 84279 137927 82808 117942 89891
Row 19 2800 87960 144075 86464 123351 93842
Row 20 2900 91641 150222 90119 128759 97793
Row 21 3000 95323 156369 93775 134168 101744
Row 22 3100 99004 162516 97431 139577 105695
Row 23 3200 102685 168663 101086 144986 109646
Row 24 3300 106366 174811 104742 150394 113597
Row 25 3400 110048 180958 108397 155803 117549
Row 26 3500 113729 187105 112053 161212 121500
Row 27 3600 117410 193252 115708 166621 125451
Row 28 3700 121091 199399 119364 172029 129402
Row 29 3800 124773 205547 123019 177438 133353
Row 30 3900 128454 211694 126675 182847 137304
Row 31 4000 132135 217841 130331 188256 141256
Row 32 4100 135817 223988 133986 193664 145207
Row 33 4200 139498 230135 137642 199073 149158
Row 34 4300 143179 236283 141297 204482 153109
Row 35 4400 146860 242430 144953 209891 157060
Row 36 4500 150542 248577 148608 215299 161011
Row 37 4600 154223 254724 152264 220708 164962
Row 38 4700 157904 260871 155919 226117 168914
 File:C:\Users\Gui\Documents\Mestrado\P1 - completa - C3H8.EES 01/10/2018 14:18:29 Page 7
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Lookup Table: Cp
Temperature CO CO2 H2 H2O O2
[K] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol]

Row 39 4800 161585 267019 159575 231526 172865

Row 40 4900 165267 273166 163230 236934 176816
Row 41 5000 168948 279313 166886 242343 180767