Parámetros de interaccón binarios Propanol-Agua

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0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 350 355 360 365 370 375 T-x,y Plot for 1-propanol-water Bubble Pt - Exp Dew Pt - Exp Bubble Pt - NRTL x1, y1 T, K

description

Calcula la gráfica de equilibrio y los BIP's para el sistema binario propanol-agua, con el modelo de actividad NRTL

Transcript of Parámetros de interaccón binarios Propanol-Agua

Page 1: Parámetros de interaccón binarios Propanol-Agua

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1350

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T-x,y Plot for 1-propanol-water

Bubble Pt - Exp

Dew Pt - Exp

Bubble Pt - NRTL

Dew Pt - NRTL

x1, y1

T,

K

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Parity Plot - ln gamma2

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0 0.5 1 1.5 2 2.5

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Parity Plot - ln gamma1

Experimental

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Page 4: Parámetros de interaccón binarios Propanol-Agua

Source - JCED, Vol 41, No. 3, 1996, 402-408

P 101.32 kPa

T x1 y1 P2sat, kPa P2sat, kPa ln gamma1ln gamma2tau12 tau21373.15 0 0 113.0635 101.272 #DIV/0! 0.000474 0.531465 2.545377362.85 0.053 0.353 76.04754 69.37107 2.183101 -0.002139 0.546551 2.617631361.85 0.1 0.378 73.06408 66.78177 1.656671 0.047399 0.548062 2.624865

361.3 0.15 0.387 71.46485 65.3924 1.296868 0.111006 0.548896 2.628861361.25 0.2 0.395 71.32091 65.2673 1.031663 0.160409 0.548972 2.629225

361.2 0.253 0.4 71.17721 65.1424 0.811186 0.222573 0.549048 2.629589361.05 0.3 0.403 70.74755 64.7689 0.65432 0.288295 0.549276 2.630681

361 0.347 0.414 70.60481 64.64479 0.537727 0.341119 0.549352 2.631046360.95 0.4 0.421 70.4623 64.52089 0.414374 0.415668 0.549428 2.63141

360.9 0.438 0.438 70.32003 64.39718 0.365227 0.453214 0.549504 2.631775360.95 0.5 0.447 70.4623 64.52089 0.251156 0.552045 0.549428 2.63141

361 0.538 0.461 70.60481 64.64479 0.206725 0.603527 0.549352 2.631046361.3 0.604 0.485 71.46485 65.3924 0.129653 0.70063 0.548896 2.628861361.7 0.65 0.514 72.62502 66.40043 0.098225 0.750856 0.548289 2.625954362.1 0.7 0.55 73.80072 67.42141 0.075753 0.812786 0.547683 2.623053362.8 0.751 0.585 75.89602 69.23964 0.039126 0.891536 0.546626 2.617992363.6 0.8 0.634 78.35054 71.36754 0.024528 0.954757 0.545424 2.612232

364.65 0.847 0.693 81.67117 74.24293 0.014912 1.007351 0.543853 2.60471366.1 0.9 0.77 86.4468 78.3719 0.00275 1.089728 0.541699 2.594394

368 0.952 0.87 93.05044 84.07008 -0.00493 1.182967 0.538902 2.580999370.4 1 1 101.9795 91.75633 -0.006488 #DIV/0! 0.535411 2.564275

2.805727 1.725339

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R 8.314 A B Cdel g12 1648.8del g21 7896.7 1-propanol 15.804 3300.22 -75.19alpha 0.477 water 16.3144 3845.02 -44.42G12 G21 ln gamma1ln gamma2Error0.776073 0.296964 2.957833 00.770508 0.286903 2.219852 0.020944 0.0018830.769953 0.285915 1.719357 0.062183 0.0041480.769647 0.285371 1.331156 0.11738 0.0012160.769619 0.285321 1.044059 0.177905 0.000460.769591 0.285271 0.815534 0.244492 0.0004990.769507 0.285123 0.658885 0.304255 0.000276

0.76948 0.285073 0.533704 0.363989 0.0005390.769452 0.285024 0.420711 0.431199 0.0002810.769424 0.284974 0.353898 0.479356 0.0008120.769452 0.285024 0.264483 0.558096 0.000214

0.76948 0.285073 0.219339 0.606736 0.0001690.769647 0.285371 0.154695 0.692416 0.000695

0.76987 0.285767 0.118198 0.753463 0.0004060.770092 0.286162 0.085221 0.821635 0.0001680.770481 0.286854 0.057869 0.893392 0.0003550.770923 0.287643 0.03697 0.964963 0.000259

0.7715 0.288677 0.0215 1.036305 0.0008820.772294 0.290101 0.009148 1.120369 0.000980.773325 0.291961 0.002105 1.206795 0.0006170.774614 0.294299 0 1.290074

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0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1322

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Data for acetone methanol taken from, FPE, 103-95-NRTL-UNIQUAC, page no. 257Antoine's constants

P 1.01325 bar

T x1 y1 P2sat, bar P2sat, bar ln gamma1 ln gamma2 tau 12 tau 21337.65 0 0 1.333218 1.01129 #DIV/0! 0.00084082 0.027898398 0.049888334.05 0.125 0.239 1.184624 0.876192 0.21362386 0.00249382 0.028199054 0.050425332.65 0.197 0.333 1.130551 0.827896 0.18040431 0.00715089 0.028317734 0.050638

332.2 0.225 0.362 1.113597 0.812854 0.1655145 0.01122326 0.028356093 0.050706330.95 0.319 0.445 1.06757 0.772262 0.12188976 0.02909792 0.028463194 0.050898

330.3 0.385 0.495 1.044246 0.751833 0.09605834 0.0440112 0.028519207 0.050998330.15 0.4 0.513 1.038922 0.747184 0.09719107 0.04166672 0.028532165 0.051021329.55 0.479 0.575 1.017844 0.728826 0.07736772 0.05464379 0.028584112 0.051114329.15 0.547 0.613 1.003984 0.716799 0.053463 0.08193209 0.028618849 0.051176

329 0.575 0.633 0.998826 0.712332 0.04796278 0.08931153 0.028631897 0.051199328.9 0.601 0.649 0.995399 0.709366 0.04108978 0.0991802 0.028640602 0.051215328.8 0.626 0.672 0.991981 0.706412 0.04000813 0.09966102 0.028649313 0.051231

328.65 0.7 0.719 0.986873 0.701999 0.0230864 0.13096536 0.028662389 0.051254328.6 0.723 0.737 0.985174 0.700533 0.0205327 0.13776406 0.02866675 0.051262328.6 0.736 0.747 0.985174 0.700533 0.01864629 0.14180468 0.02866675 0.051262

328.55 0.75 0.758 0.983479 0.69907 0.01755966 0.14707153 0.028671113 0.05127328.55 0.751 0.76 0.983479 0.69907 0.01812537 0.14520807 0.028671113 0.05127328.55 0.766 0.77 0.983479 0.69907 0.01521367 0.15370816 0.028671113 0.05127328.55 0.768 0.775 0.983479 0.69907 0.0168922 0.14789071 0.028671113 0.05127328.55 0.775 0.777 0.983479 0.69907 0.01407103 0.15731852 0.028671113 0.05127328.55 0.777 0.779 0.983479 0.69907 0.01406815 0.15728359 0.028671113 0.05127328.55 0.779 0.78 0.983479 0.69907 0.01350886 0.15922658 0.028671113 0.05127328.55 0.781 0.784 0.983479 0.69907 0.01461674 0.15520581 0.028671113 0.05127328.55 0.791 0.79 0.983479 0.69907 0.01240232 0.16326919 0.028671113 0.05127328.55 0.803 0.8 0.983479 0.69907 0.01132616 0.16775995 0.028671113 0.05127328.55 0.816 0.815 0.983479 0.69907 0.01241916 0.16355008 0.028671113 0.05127

328.6 0.832 0.824 0.985174 0.700533 0.00800739 0.18049147 0.02866675 0.051262328.6 0.848 0.84 0.985174 0.700533 0.00808694 0.18256448 0.02866675 0.051262328.7 0.887 0.876 0.988573 0.703467 0.00528833 0.19881606 0.028658029 0.051246

328.75 0.901 0.889 0.990276 0.704938 0.00413736 0.20725343 0.02865367 0.051238328.8 0.915 0.903 0.991981 0.706412 0.00347985 0.21401159 0.028649313 0.051231328.9 0.935 0.925 0.995399 0.709366 0.00304967 0.21699388 0.028640602 0.051215

328.95 0.943 0.933 0.997111 0.710848 0.00234306 0.22413998 0.028636249 0.051207329 0.952 0.942 0.998826 0.712332 0.00164087 0.23522115 0.028631897 0.051199

329.1 0.965 0.957 1.002262 0.715307 0.00111991 0.24062445 0.028623197 0.051184329.25 0.987 0.984 1.007435 0.71979 0.00117768 0.23868744 0.028610157 0.051161329.35 1 1 1.010895 0.722792 0.00101061 #DIV/0! 0.02860147 0.051145

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A B Cdel g12 78.317 Acetonedel g21 140.046 MeOH 5.20409 1581.341 -33.5alpha 0.47 4.42448 1312.253 -32.445G12 G21 a b c d ln gamma1ln gamma20.986973 0.986973 #DIV/0! 0.027535 0.027176 0.050546 #DIV/0! 00.986834 0.986834 3.867889 0.02792 0.027552 0.050928 2.982729 0.0012260.986779 0.986779 1.704279 0.028089 0.027718 0.051046 1.117047 0.0030570.986761 0.986761 1.345035 0.028148 0.027775 0.051078 0.824768 0.0039920.986711 0.986711 0.721521 0.028325 0.027948 0.051143 0.347749 0.0080480.986685 0.986685 0.512353 0.02843 0.028052 0.051153 0.204538 0.011740.986679 0.986679 0.477337 0.028455 0.028075 0.051156 0.182085 0.0126770.986655 0.986655 0.33862 0.028567 0.028185 0.05114 0.09967 0.0182010.986639 0.986639 0.259234 0.028654 0.028271 0.051109 0.059077 0.0237510.986633 0.986633 0.233423 0.028688 0.028305 0.051094 0.047344 0.0262510.986629 0.986629 0.212157 0.028717 0.028333 0.051074 0.038348 0.0286820.986625 0.986625 0.193822 0.028745 0.028361 0.051055 0.031132 0.0311210.986619 0.986619 0.149074 0.028816 0.028431 0.050977 0.01601 0.0389090.986617 0.986617 0.137522 0.028838 0.028453 0.050953 0.012765 0.0415070.986617 0.986617 0.131391 0.028849 0.028463 0.050935 0.011168 0.0430090.986615 0.986615 0.125112 0.028864 0.028478 0.050924 0.009624 0.0446630.986615 0.986615 0.124674 0.028865 0.028478 0.050922 0.00952 0.0447820.986615 0.986615 0.118278 0.028876 0.02849 0.050902 0.008058 0.0465830.986615 0.986615 0.11745 0.028878 0.028491 0.050899 0.007876 0.0468260.986615 0.986615 0.114595 0.028883 0.028497 0.050889 0.007264 0.0476810.986615 0.986615 0.113791 0.028885 0.028498 0.050887 0.007095 0.0479270.986615 0.986615 0.112993 0.028887 0.0285 0.050884 0.00693 0.0481730.986615 0.986615 0.112201 0.028888 0.028502 0.050881 0.006767 0.048420.986615 0.986615 0.108316 0.028896 0.028509 0.050867 0.005994 0.0496640.986615 0.986615 0.103821 0.028905 0.028518 0.050851 0.005151 0.0511780.986615 0.986615 0.099147 0.028916 0.028529 0.050833 0.004336 0.0528440.986617 0.986617 0.093645 0.028924 0.028537 0.050804 0.003459 0.0549210.986617 0.986617 0.088431 0.028936 0.028549 0.050782 0.002712 0.0570470.986621 0.986621 0.076751 0.028958 0.02857 0.050714 0.00135 0.0623780.986623 0.986623 0.072889 0.028964 0.028577 0.050687 0.000998 0.0643470.986625 0.986625 0.069191 0.028971 0.028583 0.05066 0.000709 0.0663450.986629 0.986629 0.064169 0.028978 0.02859 0.050618 0.000394 0.0692460.986631 0.986631 0.062243 0.028979 0.028592 0.0506 0.000296 0.0704210.986633 0.986633 0.060133 0.028982 0.028595 0.05058 0.000205 0.0717560.986637 0.986637 0.05718 0.028983 0.028596 0.050547 0.000106 0.07370.986643 0.986643 0.052444 0.028987 0.0286 0.050495 1.376E-05 0.0770520.986647 0.986647 0.049788 0.028989 0.028601 0.050462 0 0.079064

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ln gamm1 ln gamma20.077423 00.059854 0.0013710.050592 0.0036850.047179 0.0049760.036539 0.011450.029843 0.0187590.028414 0.0208660.021451 0.0358950.016228 0.0570210.014287 0.0693020.012594 0.0834290.011067 0.100271

0.00712 0.1810290.00607 0.221931

0.005513 0.2503970.004944 0.2866840.004905 0.2895310.004331 0.3371020.004257 0.344210.004004 0.3707250.003933 0.37880.003863 0.3871120.003793 0.3956710.003454 0.4425080.003069 0.5091580.002677 0.5977310.002231 0.7382510.001826 0.928760.001009 1.805680.000774 2.414485

0.00057 3.3622650.000333 5.9704840.000256 7.8827170.000182 11.308529.66E-05 21.80596

1.332E-05 164.96710 #DIV/0!

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T x1 y1 T 373.16 0 0373.13 0.01 0.0112

373.16 0373.1 0.02 0.0223373.07 0.03 0.0334

368.67 0.01373.03 0.04 0.0444373 0.05 0.0555

365.91 0.02372.97 0.06 0.0665372.94 0.07 0.0775

364.16 0.03372.91 0.08 0.0885372.87 0.09 0.0994

363.02 0.04372.84 0.1 0.1103372.81 0.11 0.1212

362.27 0.05372.78 0.12 0.1321372.75 0.13 0.1429

361.77 0.06372.71 0.14 0.1537372.68 0.15 0.1645

361.44 0.07372.65 0.16 0.1752372.62 0.17 0.186

361.22 0.08372.59 0.18 0.1967372.56 0.19 0.2074

361.08 0.09372.53 0.2 0.218372.49 0.21 0.2287

360.98 0.1372.46 0.22 0.2393372.43 0.23 0.2499

360.92 0.11372.4 0.24 0.2604372.37 0.25 0.271

360.89 0.12372.34 0.26 0.2815372.31 0.27 0.292

360.87 0.13372.28 0.28 0.3024372.25 0.29 0.3129

360.86 0.14372.22 0.3 0.3233372.19 0.31 0.3337

360.85 0.15372.16 0.32 0.3441372.12 0.33 0.3544

360.85 0.16372.09 0.34 0.3647372.06 0.35 0.375

360.85 0.17372.03 0.36 0.3853372 0.37 0.3956

360.85 0.18371.97 0.38 0.4058371.94 0.39 0.416

360.85 0.19371.91 0.4 0.4262371.88 0.41 0.4364

360.85 0.2371.85 0.42 0.4465371.82 0.43 0.4566

360.85 0.21371.79 0.44 0.4667371.77 0.45 0.4768

360.84 0.22371.74 0.46 0.4869371.71 0.47 0.4969

360.84 0.23371.68 0.48 0.5069371.65 0.49 0.5169

360.83 0.24371.62 0.5 0.5269371.59 0.51 0.5368

360.82 0.25371.56 0.52 0.5468

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371.53 0.53 0.5567360.81 0.26371.5 0.54 0.5666

371.47 0.55 0.5764360.8 0.27371.44 0.56 0.5863

371.42 0.57 0.5961360.78 0.28371.39 0.58 0.6059

371.36 0.59 0.6157360.77 0.29371.33 0.6 0.6254

371.3 0.61 0.6352360.76 0.3371.27 0.62 0.6449

371.24 0.63 0.6546360.74 0.31371.21 0.64 0.6643

371.19 0.65 0.6739360.73 0.32371.16 0.66 0.6836

371.13 0.67 0.6932360.72 0.33371.1 0.68 0.7028

371.07 0.69 0.7124360.71 0.34371.05 0.7 0.7219

371.02 0.71 0.7315360.69 0.35370.99 0.72 0.741

370.96 0.73 0.7505360.68 0.36370.93 0.74 0.76

370.91 0.75 0.7694360.67 0.37370.88 0.76 0.7789

370.85 0.77 0.7883360.66 0.38370.82 0.78 0.7977

370.8 0.79 0.8071360.66 0.39370.77 0.8 0.8165

370.74 0.81 0.8258360.65 0.4370.71 0.82 0.8351

370.69 0.83 0.8445360.65 0.41370.66 0.84 0.8537

370.63 0.85 0.863360.65 0.42370.6 0.86 0.8723

370.58 0.87 0.8815360.65 0.43370.55 0.88 0.8907

370.52 0.89 0.8999360.65 0.44370.5 0.9 0.9091

370.47 0.91 0.9183360.65 0.45370.44 0.92 0.9274

370.42 0.93 0.9366360.66 0.46370.39 0.94 0.9457

370.36 0.95 0.9548360.67 0.47370.34 0.96 0.9639

370.31 0.97 0.9729360.68 0.48370.28 0.98 0.982

370.26 0.99 0.991360.69 0.49370.23 1 1

360.71 0.5

360.73 0.51

360.76 0.52

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360.78 0.53

360.81 0.54

360.85 0.55

360.88 0.56

360.93 0.57

360.97 0.58

361.02 0.59

361.07 0.6

361.13 0.61

361.19 0.62

361.26 0.63

361.33 0.64

361.4 0.65

361.49 0.66

361.57 0.67

361.66 0.68

361.76 0.69

361.87 0.7

361.98 0.71

362.09 0.72

362.22 0.73

362.35 0.74

362.48 0.75

362.63 0.76

362.78 0.77

362.95 0.78

363.12 0.79

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363.3 0.8

363.49 0.81

363.7 0.82

363.91 0.83

364.14 0.84

364.37 0.85

364.63 0.86

364.89 0.87

365.17 0.88

365.47 0.89

365.79 0.9

366.12 0.91

366.48 0.92

366.85 0.93

367.25 0.94

367.67 0.95

368.12 0.96

368.6 0.97

369.11 0.98

369.65 0.99370.23 1

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y1

0 373.16 0 0

0.1576368.67 0.01 0.1576365.91 0.02 0.2448

0.2448364.16 0.03 0.2971363.02 0.04 0.33

0.2971362.27 0.05 0.3515361.77 0.06 0.3658

0.33361.44 0.07 0.3755361.22 0.08 0.382

0.3515361.08 0.09 0.3864360.98 0.1 0.3892

0.3658360.92 0.11 0.3911360.89 0.12 0.3923

0.3755360.87 0.13 0.393360.86 0.14 0.3933

0.382360.85 0.15 0.3935360.85 0.16 0.3935

0.3864360.85 0.17 0.3935360.85 0.18 0.3935

0.3892360.85 0.19 0.3935360.85 0.2 0.3936

0.3911360.85 0.21 0.3937360.84 0.22 0.394

0.3923360.84 0.23 0.3943360.83 0.24 0.3948

0.393360.82 0.25 0.3954360.81 0.26 0.3961

0.3933360.8 0.27 0.3969

360.78 0.28 0.3978

0.3935360.77 0.29 0.3989360.76 0.3 0.4001

0.3935360.74 0.31 0.4014360.73 0.32 0.4028

0.3935360.72 0.33 0.4044360.71 0.34 0.406

0.3935360.69 0.35 0.4078360.68 0.36 0.4098

0.3935360.67 0.37 0.4118360.66 0.38 0.4139

0.3936360.66 0.39 0.4162360.65 0.4 0.4186

0.3937360.65 0.41 0.4211360.65 0.42 0.4237

0.394360.65 0.43 0.4264360.65 0.44 0.4292

0.3943360.65 0.45 0.4322360.66 0.46 0.4352

0.3948360.67 0.47 0.4384360.69 0.49 0.4451

0.3954360.71 0.5 0.4486360.73 0.51 0.4523

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0.3961360.76 0.52 0.4561360.78 0.53 0.46

0.3969360.81 0.54 0.464360.85 0.55 0.4682

0.3978360.88 0.56 0.4725360.93 0.57 0.477

0.3989360.97 0.58 0.4815361.02 0.59 0.4863

0.4001361.07 0.6 0.4912361.13 0.61 0.4962

0.4014361.19 0.62 0.5014361.26 0.63 0.5068

0.4028361.33 0.64 0.5124

361.4 0.65 0.5182

0.4044361.49 0.66 0.5241361.57 0.67 0.5302

0.406361.66 0.68 0.5366361.76 0.69 0.5432

0.4078361.87 0.7 0.55361.98 0.71 0.5571

0.4098362.09 0.72 0.5644362.22 0.73 0.572

0.4118362.35 0.74 0.5799362.48 0.75 0.5881

0.4139362.63 0.76 0.5966362.78 0.77 0.6055

0.4162362.95 0.78 0.6147363.12 0.79 0.6243

0.4186363.3 0.8 0.6343

363.49 0.81 0.6448

0.4211363.7 0.82 0.6558

363.91 0.83 0.6673

0.4237364.14 0.84 0.6793364.37 0.85 0.6919

0.4264364.63 0.86 0.7051364.89 0.87 0.719

0.4292365.17 0.88 0.7337365.47 0.89 0.7492

0.4322365.79 0.9 0.7655366.12 0.91 0.7828

0.4352366.48 0.92 0.8012366.85 0.93 0.8206

0.4384367.25 0.94 0.8413367.67 0.95 0.8634

0.4417368.12 0.96 0.887

368.6 0.97 0.9123

0.4451369.11 0.98 0.9394369.65 0.99 0.9685

0.4486370.23 1 1

0.4523

0.4561

Page 17: Parámetros de interaccón binarios Propanol-Agua

0.46

0.464

0.4682

0.4725

0.477

0.4815

0.4863

0.4912

0.4962

0.5014

0.5068

0.5124

0.5182

0.5241

0.5302

0.5366

0.5432

0.55

0.5571

0.5644

0.572

0.5799

0.5881

0.5966

0.6055

0.6147

0.6243

Page 18: Parámetros de interaccón binarios Propanol-Agua

0.6343

0.6448

0.6558

0.6673

0.6793

0.6919

0.7051

0.719

0.7337

0.7492

0.7655

0.7828

0.8012

0.8206

0.8413

0.8634

0.887

0.9123

0.9394

0.96851