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VLE Calculation

This document contains thermodynamic property data for butane and ethanol including Antoine constants, molecular weights, densities, and vapor-liquid equilibrium data at 323.75K and pressures from 0 to 5 bars. Experimental vapor phase mole fractions of butane (x1) and ethanol (x2) are given along with calculated vapor pressures and mole fractions. Graphs compare experimental and calculated mole fractions and vapor pressures.

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Da Saint
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0% found this document useful (0 votes)
95 views

VLE Calculation

This document contains thermodynamic property data for butane and ethanol including Antoine constants, molecular weights, densities, and vapor-liquid equilibrium data at 323.75K and pressures from 0 to 5 bars. Experimental vapor phase mole fractions of butane (x1) and ethanol (x2) are given along with calculated vapor pressures and mole fractions. Graphs compare experimental and calculated mole fractions and vapor pressures.

Uploaded by

Da Saint
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as XLSX, PDF, TXT or read online on Scribd
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Butane Ethanol Constants

Antoine 4.35576 5.24677 a A12 -48.64639


1175.58 1598.67 b A21 9917.878
-2.071 -46.424 c ᴧ12 0.462463451
bar 5.3042607 0.3035166 Psat ᴧ21 0.055276228
58.12 46.06844 mol.Weight R 8.314
2480 789000 densty T(K) 323.75
m^3/mol 0.2245822 0.1020008 mol.Volume

X1 P(bar) x2 W(ᴧ) ln(y1) y1 ln(y2) y2


0 0.303 1 0.944723772 1.71591152 5.561742856 0 1
0.039 1.371 0.961 0.899244053 1.59102771 4.908791174 0.002469604 1.002473
0.0909 2.41 0.9091 0.843971351 1.43800322 4.212276405 0.013071387 1.013157
0.1481 3.176 0.8519 0.788871074 1.28439458 3.612480232 0.033890613 1.034471
0.1835 3.537 0.8165 0.757338237 1.1962203 3.307591559 0.051410564 1.052755
0.2312 3.918 0.7688 0.717465184 1.08475748 2.958722187 0.080559991 1.083894
0.2801 4.219 0.7199 0.679226146 0.97832049 2.659985006 0.117112758 1.124246
0.2767 4.184 0.7233 0.681808839 0.98548368 2.6791074 0.114349132 1.121143
0.3136 4.361 0.6864 0.6543181 0.90951803 2.483125461 0.146159791 1.157381
0.3368 4.426 0.6632 0.63759055 0.86367435 2.371859752 0.168253439 1.183236
0.3723 4.543 0.6277 0.612698939 0.79619256 2.217083423 0.205325781 1.227925
0.3838 4.562 0.6162 0.604794104 0.77498923 2.170568759 0.218214341 1.243854
0.4198 4.649 0.5802 0.580459581 0.71057281 2.035156674 0.261489799 1.298864
0.4686 4.737 0.5314 0.548202443 0.62769271 1.873283382 0.32775954 1.387855
0.5153 4.8 0.4847 0.517698009 0.55276868 1.738058484 0.400351351 1.492349
0.5622 4.85 0.4378 0.486900188 0.48148039 1.618468597 0.483681022 1.622034
0.6173 4.899 0.3827 0.44962535 0.40238486 1.495386737 0.59754224 1.817646
0.6742 4.943 0.3258 0.408401788 0.32558607 1.384842016 0.737822761 2.091377
0.7222 4.976 0.2778 0.369667091 0.26442176 1.302677503 0.879609665 2.409959
0.7759 5.013 0.2241 0.318766922 0.19979411 1.221151309 1.073217218 2.924774
0.8319 5.052 0.1681 0.250204233 0.13676558 1.146559337 1.333240541 3.793316
0.882 5.087 0.118 0.162299418 0.08468161 1.088370486 1.648089719 5.197043
0.9414 5.09 0.0586 -0.022113061 0.0307106 1.031187036 2.222317569 9.228694
1 5.041 0 -0.537536549 0 1 3.432948881 30.96783
C1 C2 C3 C4
Butane 1.0977 0.27188 425.12 0.28688
Ethanol 2.288 0.2685 512.64 0.2453

Pcalc y1calc y2calc 4


0.303517 0 1
1.307864 0.77642874 0.223571 3 Exp
2.310537 0.87900763 0.120992 Cal
3.105303 0.91386381 0.086136 2
3.480279 0.92503615 0.074964
3.881334 0.93483692 0.065163 1
4.197652 0.94147928 0.058521
4.178225 0.94109254 0.058907 0
4.371593 0.94484353 0.055156 0 0.2 0.4 0.6 0.8 1 1.2
4.475444 0.94678153 0.053218
4.612185 0.9492776 0.050722
4.651424 0.94998647 0.050014
4.760472 0.95195217 0.048048
4.880035 0.95413037 0.04587
4.970156 0.95582711 0.044173
5.041898 0.95725118 0.042749
5.107505 0.95866276 0.041337
5.159186 0.95991474 0.040085
5.193415 0.96087347 0.039127
5.224678 0.96192349 0.038077
5.252864 0.96315547 0.036845
5.277919 0.96473385 0.035266
5.313304 0.96910731 0.030893
5.304261 1 0
Experi menta l
Cal cul ated

0.8 1 1.2
Butane Ethanol Constants
Antoine 4.35576 5.24677 a A12 -48.64639 Butane
1175.58 1598.67 b A21 9917.878 Ethanol
-2.071 -46.424 c ᴧ12 0.4624634507
bar 5.304261 0.303517 Psat ᴧ21 0.0552762283
58.12 46.06844 mol.Weight R 8.314
2480 789000 densty T(K) 323.75
m^3/mol 0.224582 0.102001 mol.Volume

X1 P(bar) x2 W(ᴧ) ln(y1) y1 ln(y2) y2 Pcalc Y1 calc


0 0.303 1 0.944724 1.715912 5.561743 0 1 0.303517 0
0.039 1.371 0.961 0.899244 1.591028 4.908791 0.0024696043 1.002473 1.307864 0.776429
0.0909 2.41 0.9091 0.843971 1.438003 4.212276 0.0130713872 1.013157 2.310537 0.879008
0.1481 3.176 0.8519 0.788871 1.284395 3.61248 0.0338906126 1.034471 3.105303 0.913864
0.1835 3.537 0.8165 0.757338 1.19622 3.307592 0.0514105641 1.052755 3.480279 0.925036
0.2312 3.918 0.7688 0.717465 1.084757 2.958722 0.0805599905 1.083894 3.881334 0.934837
0.2801 4.219 0.7199 0.679226 0.97832 2.659985 0.1171127583 1.124246 4.197652 0.941479
0.2767 4.184 0.7233 0.681809 0.985484 2.679107 0.1143491319 1.121143 4.178225 0.941093
0.3136 4.361 0.6864 0.654318 0.909518 2.483125 0.1461597905 1.157381 4.371593 0.944844
0.3368 4.426 0.6632 0.637591 0.863674 2.37186 0.1682534391 1.183236 4.475444 0.946782
0.3723 4.543 0.6277 0.612699 0.796193 2.217083 0.2053257808 1.227925 4.612185 0.949278
0.3838 4.562 0.6162 0.604794 0.774989 2.170569 0.2182143413 1.243854 4.651424 0.949986
0.4198 4.649 0.5802 0.58046 0.710573 2.035157 0.2614897992 1.298864 4.760472 0.951952
0.4686 4.737 0.5314 0.548202 0.627693 1.873283 0.3277595402 1.387855 4.880035 0.95413
0.5153 4.8 0.4847 0.517698 0.552769 1.738058 0.4003513507 1.492349 4.970156 0.955827
0.5622 4.85 0.4378 0.4869 0.48148 1.618469 0.4836810219 1.622034 5.041898 0.957251
0.6173 4.899 0.3827 0.449625 0.402385 1.495387 0.5975422403 1.817646 5.107505 0.958663
0.6742 4.943 0.3258 0.408402 0.325586 1.384842 0.737822761 2.091377 5.159186 0.959915
0.7222 4.976 0.2778 0.369667 0.264422 1.302678 0.8796096651 2.409959 5.193415 0.960873
0.7759 5.013 0.2241 0.318767 0.199794 1.221151 1.0732172184 2.924774 5.224678 0.961923
0.8319 5.052 0.1681 0.250204 0.136766 1.146559 1.3332405414 3.793316 5.252864 0.963155
0.882 5.087 0.118 0.162299 0.084682 1.08837 1.6480897187 5.197043 5.277919 0.964734
0.9414 5.09 0.0586 -0.02211 0.030711 1.031187 2.222317569 9.228694 5.313304 0.969107
1 5.041 0 -0.53754 0 1 3.4329488805 30.96783 5.304261 1

1.2

1
X-Y plot for butane at 5 bar and 50.6°C

0.8

0.6
y1

0.4

0.2

0
0 0.2 0.4 0.6 0.8 1 1.2
x1
0.6

y1
0.4

0.2

0
0 0.2 0.4 0.6 0.8 1 1.2
x1
C1 C2 C3 C4
1.0977 0.27188 425.12 0.28688
2.288 0.2685 512.64 0.2453

Y2 calc Y1 (T) (5bar) Y2 (T) (5bar)


1 0 0.0607033237
0.223571 0.203092565 0.0584801387
0.120992 0.4061959651 0.0559114763
0.086136 0.5675647285 0.0534957887
0.074964 0.64387684 0.0521790279
0.065163 0.725682882 0.0505839343
0.058521 0.7904004119 0.0491299213
0.058907 0.7864192643 0.0492257263
0.055156 0.8260942085 0.0482243226
0.053218 0.847453639 0.0476352587
0.050722 0.8756487489 0.0467882124
0.050014 0.883758042 0.0465268284
0.048048 0.9063483392 0.0457460681
0.04587 0.9312378626 0.0447690811
0.044173 0.9501220321 0.0439092352
0.042749 0.9652726012 0.0431070424
0.041337 0.9792749877 0.0422260279
0.040085 0.9904757346 0.0413614642
0.039127 0.9980430108 0.0406400596
0.038077 1.0051481822 0.0397874992
0.036845 1.0118648746 0.0387078629
0.035266 1.0183573496 0.037226375
0.030893 1.0298322762 0.0328284474
0 1.0608521491 0
butane ethanol Constants
antoine 4.35576 5.24677 a 949.44 A12 Butane
1175.58 1598.67 b 8028.6 A21 no imbedded function Ethanol
-2.071 -46.424 c 0.316269 Λ12 0.447602 Λ12
bar 8.593871 0.801837 Psat 0.139038 Λ21 0.072047 Λ21 Objective function
58.12 46.06844 mol. Weigh 8.314 R (j/mol.K) 0.140813
2480 789000 density 345.65 T (K)
m^3/mol 0.236225 0.10396 mol.vol
Minimized
-48.6439 A12
9917.878 A21

x1 x2 P (bar) W(Λ) ln(γ1) ln(γ2) γ1 γ2 Pcalc (P error)^2


0 1 0.804 0.927953 1.731804 0 5.650836 1 0.801837 4.68E-06
0.0454 0.9546 2.365 0.871728 1.581486 0.003466 4.862174 1.003472 2.665125 0.090075
0.0876 0.9124 3.941 0.824016 1.453027 0.0126 4.27604 1.012679 3.959974 0.00036
0.137 0.863 5.189 0.772837 1.314595 0.03009 3.723244 1.030547 5.096723 0.008515
0.1861 0.8139 5.998 0.72614 1.188109 0.054444 3.280871 1.055953 5.936291 0.003808
0.236 0.764 6.613 0.682192 1.069431 0.086179 2.913722 1.090001 6.577214 0.001281
0.2963 0.7037 7.214 0.632872 0.937556 0.133998 2.553732 1.143391 7.147893 0.00437
0.2853 0.7147 7.078 0.641603 0.960748 0.124489 2.613651 1.132569 7.057276 0.000429
0.3405 0.6595 7.508 0.59879 0.84794 0.175863 2.334833 1.192274 7.462706 0.002052
0.336 0.664 7.43 0.602193 0.856813 0.171328 2.35564 1.18688 7.433925 1.54E-05
0.3851 0.6149 7.73 0.565736 0.762886 0.224298 2.144455 1.251443 7.714098 0.000253
0.3871 0.6129 7.69 0.564279 0.75919 0.226622 2.136544 1.254356 7.724062 0.00116
0.4319 0.5681 7.909 0.532073 0.678882 0.282329 1.971671 1.326215 7.922361 0.000179
0.4797 0.5203 8.053 0.49829 0.598113 0.350008 1.818684 1.419079 8.08952 0.001334
0.528 0.472 8.171 0.46421 0.521201 0.428162 1.68405 1.534435 8.222215 0.002623
0.579 0.421 8.275 0.427536 0.444687 0.523101 1.560002 1.687251 8.331907 0.003238
0.6297 0.3703 8.363 0.389377 0.373037 0.632678 1.452139 1.882645 8.417331 0.002952
0.6819 0.3181 8.446 0.34683 0.303569 0.765267 1.354685 2.149568 8.486949 0.001677
0.7341 0.2659 8.524 0.298665 0.238273 0.923974 1.269056 2.519282 8.543302 0.000373
0.7826 0.2174 8.595 0.245539 0.181317 1.103257 1.198796 3.013967 8.587968 4.94E-05
0.8391 0.1609 8.676 0.165785 0.119756 1.36888 1.127222 3.930945 8.635684 0.001625
0.8964 0.1036 8.753 0.046389 0.063737 1.741121 1.065812 5.703735 8.684344 0.004714
0.9514 0.0486 8.806 -0.15507 0.019677 2.291874 1.019872 9.893459 8.724227 0.006687
1 0 8.649 -0.5524 0 3.182837 1 24.11507 8.593871 0.003039
C1 C2 C3 C4
1.0677 0.27188 425.12 0.28688
2.288 0.2685 512.62 0.2453

Objective function

(P error)^2

P vs X1
10
9
8
7
6
P (BAR)

5 Experi mental
4 Ca l cul ated
3
2
1
0
0 0.2 0.4 0.6 0.8 1 1.2
X1

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