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H20 + C2H4 = C2H5OH

Komposisi
H2O 5
C2H4 1
P 35 bar P0 1 bar R
T 523.15 K T0 298.15 K
Koef A B C D dH 298
C2H4 -1 1.424 0.014394 -0.000004392 0 52510
H2O -1 3.47 0.00145 0 12100 -241818
C2H5OH 1 3.518 0.020001 -0.000006002 0 -235100
Total -1 -1.376 0.004157 -0.00000161 -12100 -45792

Pc Tc omega Pr Tr B0
C2H4 50.4 282.3 0.087 0.6944444444 1.8531703861 -0.07427
H2O 220.55 647.1 0.345 0.1586941737 0.8084530984 -0.51001
C2H5OH 61.48 513.9 0.645 0.5692908263 1.0179996108 -0.32713

K0 29.36593
K1 0.000354
K2 0.977841
Ktot 0.010176
Ky 0.373489
Koordinat Reaksi 0.039316

Basis 1 moL/s
Species Koefisien Komposisi Feed Flowrate Komposisi Product Konversi
Feed (mol/s) Product (mol/s)
C2H4 -1 17% 0.17 0.13 13% 0.235897
H2O -1 83% 0.83 0.79 83% 0.047179
C2H5OH 1 0% 0.00 0.04 4%
Total 100% 1.00 0.96 100%
Ky 0.373526
error 9.81E-05
8.314

dG 298 IDCPH IDCPS


68460
-228572
-168490
-8378 -5.57897 -0.03307

B1 phi
0.126109 0.976559
-0.28112 0.887674
-0.02058 0.826661
DH.f.298, DG.f.298 Cp/R Reaction-1 Reaction-2
J/mol J/mol
Butane -125790 -16570 11.928 -1 -1
Ethane -83820 -31855 6.369 1 0
Ethene 52510 68460 5.325 1 0
Propene 19710 62205 7.792 0 1
methane -74520 -50460 4.217 0 1

Tref 298 K
T 750 K
P 1.2 bar
DH-r 298 94480 70980
DG-r 298 53175 28315
K (298) 4.774581E-10 1.09E-05
K(T) 4.5704487942 342.8453
K (P,T) 3.8087073285 285.7044

Reaction coordinate 10.612008772 89.24848 mol/s


Feed rate 100 mol/s

feed products
comp., fee flowrate, flowrate,
mol/s mol/s
Butane 100% 100 0.1395071899 0.000698
Ethane 0% 0 10.612008772 0.053097
Ethene 0% 0 10.612008772 0.053097
Propene 0% 0 89.248484038 0.446554
methane 0% 0 89.248484038 0.446554
199.86049281 1
Ky 4.0389795646 285.6789
error 23% 3%
error 26%
Chemical Reaction Equillibrium

R, J/(mol.K) 8.314
DH.f.298, DG.f.298 Cp/R
J/mol J/mol
CH4 -74,520 -50,460 4.217
H2O(gas) -241,818 -228,572 4.038
CO -110,525 -137,169 3.507
H2 0 0 3.468
CH3OH(gas) -200600 -119660 5.547
CO2 -393509 -394359 4.467
NH3(gas) -46110 -16450 4.269
N2 0 0 3.502

Temp. ref, K = 298


T, reactor inlet, C = 27
T, reactor inlet, K = 300

DH.f.298, Cp/R Reaction-1 Reaction-2


J/mol DG.f.298 J/mol
H2O(gas) -241,818 -228,572 4.038 1
CO -110,525 -137,169 3.507 -1 1
H2 0 0 3.468 -2 -1
CH3OH(gas) -200660 -161960 5.547 1
CO2 -393509 -394359 4.467 -1
N2 0 0 3.502
DH-reaction 298 -90135 41166
DG-reaction 298 -24791 28618
T, K 525 525
K(298) = 22162.730002588 9.628099E-06
K(T) = 0.0032665721 0.012694124
P, bar = 80 80
Ky(P,T) = 20.9060614116 0.012694124
Reaction coordinate, mol/s =
Feed flowrate, mol/s = 100 19.8009901591 0.2752473423
feed
flowrate, products flowrate,
comp., feed mol/s
mol/s
H2O(gas) 0% 0 0.28 0.5%
CO 25% 25 5.47 9.1%
H2 65% 65 25.12 41.6%
CH3OH(gas) 0 19.80 32.8%
CO2 5% 5 4.72 7.8%
N2 5% 5 5.00 8.3%
100 60.40 100.0%
Ky = 20.91 0.0126940934
error 0.00% 0.00%
error 0.00%

Energy Balance Inlet Outlet


H2O(gas) 0 -64462.14901281
CO -2761667 -568809.8970354
H2 3748.2838 164430.55739612
CH3OH(gas) 0 -3765975.444515
CO2 -1967174 -1819400.804137
N2 291.15628 33046.23778
DH, flow = -4724801 -6021171.499524

Q-reaction T (path-1) = -1296370


Q-reaction T (path-2) = -1296370
525 K 19.8 mol/s 80 bar
2 560 K 14.87 mol/s 80 bar
15.42 85 bar
Chemical Reaction Equillibrium

R, J/(mol.K) 8.314
DH.f.298, DG.f.298 Cp/R Coeff. React.
J/mol J/mol
CH4 -74,520 -50,460 4.217 -1
H2O -241,818 -228,572 4.038 -1
CO -110,525 -137,169 3.507 1
H2 0 0 3.468 3
Reaction 205813 141863 2
T.ref, K = 298
K(298) = 1.36E-25
P. Reactor pressure, bar = 1000 0.5 1
T. equil. React., C = 550 650
T. equil. React., K = 823 923
K(T) = 0.0140 0.36
Ky(T, P) = 0.0561 0.3647
Reaction Coordinate, mol/s = 14.18 1.00
Feed Flowrate, mol/s = 100
Product
Feed Product Product
Coeff. Compositi Feedmol/s
flowrate, Compositio
Flowrate, Flowrate,
Reaction n, mole
on mol/s mol/s
fraction
CH4 -1 40% 40 25.82 20.1% 39.00
H2O -1 60% 60 45.82 35.7% 59.00
CO 1 0 0 14.18 11.0% 1.00
H2 3 0 0 42.55 33.1% 3.00
100 128.37 100.0% 102.00
Ky 0.056

error = 0.00 error =

CH4 Conversion = 35.5%


H2O Conversion = 23.6%
[CO] + [H2] = 44.2%

Enthalpy Balance In Out


CH4 -2244537.1 -1448686.8
H2O -13451564.1 -10271864.2
CO 0.0 -1350458.5
H2 0.0 644071.8
DH, flow = -15696101.2 -12426937.7

Q-reaction T path-1) = 3269163.6


Q-reaction T path-2) = 3269163.6
4 0.5 0.8 0.5
500 500 500 500
773 773 773 773
0.00 0.00 0.00 0.00
0.0001 0.0080 0.0031 0.0080
3.24 8.99 7.16 8.99
0
Product Product Product Product
Product Compositi Product Compositi Product Compositi Product
Compositi Flowrate, on, mole Flowrate, on, mole Flowrate, on, mole Flowrate,
on, mole mol/s mol/s mol/s mol/s
fraction fraction fraction fraction
38.2% 36.76 34.5% 31.01 26.3% 32.84 28.7% 31.01
57.8% 56.76 53.3% 51.01 43.2% 52.84 46.2% 51.01
1.0% 3.24 3.0% 8.99 7.6% 7.16 6.3% 8.99
2.9% 9.71 9.1% 26.98 22.9% 21.48 18.8% 26.97
100.0% 106.47 100.0% 117.98 100.0% 114.32 100.0% 117.98
0.000 0.000 0.008 0.003

-1.00 error = 0.00 error = 0.00 error = 0.00 error =

2.5% 8.1% 22.5% 17.9%


1.7% 5.4% 15.0% 11.9%
3.9% 12.2% 30.5% 25.1%
Temp
Product 60.0%
Compositi
on, mole
fraction 50.0%

26.3% 40.0%
Konversi CH4

43.2%
30.0% Temp
7.6%
22.9% 20.0%
100.0%
0.008 10.0%

0.0%
0.00 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5
Temperatur (oC)
22.5%
15.0%
30.5%