CALCULO DE LA PRESION DE BURBUJA por COEFICIENTES DE ACTIVIDAD con NRTL y GAS IDEAL

PARMETROS Para los parmetros de la DECHEMA: gij-gjj = Aij

Parmetros Binarios: (gij-gjj)[cal/mol K] Parmetros Binarios: ALFAij Constantes de Antoine

3 = Cloro 3 = Cloro
Componentes 1 = Acetona 2 = Benceno 1 = Acetona 2 = Benceno A B C
Benceno Benceno
1 = Acetona 0 -128.253 479.98 0.000 0.291 0.296 7.63130 1566.69 273.419
2 = Benceno 354.668 0 347.109 0.291 0.000 0.320 6.87987 1196.76 219.161
3 = Cloro Benceno -132.023 -245.7 0 0.296 0.320 0.000 7.17294 1549.20 229.260
R [cal/mol K]= 1.98721
B
DATOS T (K) = 350 x1 = 0.067000 0
P ( mmHg ) =10
( A
T ( C)+C )
x2 = 0.874000
x3 = 0.059000

CLCULOS PARA LA FASE LIQUIDA CLCULO DE LOS RESULTADOS

x1

Resultados
T (K) 350.000 0.067000 P 0.981214
P1(bar) 1.92033 x2 0.874000 y1 0.171134
P2(bar) 0.91581 x3 0.059000 y2 0.817538
P3(bar) 0.17255 Ln (Gama 1) 0.266296 y3 0.011328
t 12 -0.184398 Ln (Gama 2) 0.002196 Suma y 1.000000
t 13 0.690099 Ln (Gama 3) 0.087875
t 21 0.509930 Gama 1 1.30512137
t 23 0.499061 Gama 2 1.00219819
t 31 -0.189818 Gama 3 1.09185144
t 32 -0.353259
G 12 1.055126
G 13 0.815243
G 21 0.862095
G 23 0.852400
G 31 1.057795
G 32 1.119680
C4: Para los parmetros de la DECHEMA: gij-gjj = Aij
 CALCULO DE LA PRESION DE ROCO por COEFICIENTES DE ACTIVIDAD con NRTL y GAS IDEAL (Procedimiento iterativo)

PARMETROS Para los parmetros de la DECHEMA: gij-gjj = Aij

Parmetros Binarios: (gij-gjj)[cal/mol K] Parmetros Binarios: ALFAij Constantes de Antoine

3 = Cloro 3 = Cloro
Componentes 1 = Acetona 2 = Benceno 1 = Acetona 2 = Benceno A B C
Benceno Benceno
1 = Acetona 0 -128.253 479.98 0.000 0.291 0.296 7.63130 1566.69 273.419
2 = Benceno 354.668 0 347.109 0.291 0.000 0.320 6.87987 1196.76 219.161
3 = Cloro Benceno -132.023 -245.7 0 0.296 0.320 0.000 7.17294 1549.20 229.260
R [cal/mol K]= 1.98721
B
DATOS T (K) = 350 y1 = 0.171134 0
P ( mmHg ) =10
( A
T ( C)+C )
y2 = 0.817538
y3 = 0.011328

T (K) 350.000 Procedimiento iterativo

P1(bar) 1.92033 Iteracion 1 Iteracion 2 Iteracion 3 Iteracion 4 Iteracion 5
P2(bar) 0.91581 Gama 1 1.00000000 1.28977600 1.30442136 1.30509006 1.30511999
P3(bar) 0.17255 Gama 2 1.00000000 1.00324422 1.00223763 1.00219990 1.00219825
t 12 -0.184398 Gama 3 1.00000000 1.09182662 1.09188459 1.09185372 1.09185179
t 13 0.690099 Calculo de la presion y composicion del liquido
t 21 0.509930 P 0.954690 0.981326 0.981215 0.981215 0.981215

Resultados
t 23 0.499061 x1 0.085079 0.067805 0.067036 0.067002 0.067000
t 31 -0.189818 x2 0.852244 0.873188 0.873967 0.873999 0.874001
t 32 -0.353259 x3 0.062677 0.059007 0.058997 0.058999 0.058999
G 12 1.055126 Suma x 1.000000 1.000000 1.000000 1.000000 1.000000
G 13 0.815243 Nuevos Coeficientes de Actividad
G 21 0.862095 Ln (Gama 1) 0.254469 0.265760 0.266272 0.266295 0.266296
G 23 0.852400 Ln (Gama 2) 0.003239 0.002235 0.002197 0.002196 0.002196
G 31 1.057795 Ln (Gama 3) 0.087852 0.087905 0.087877 0.087875 0.087875
G 32 1.119680 Gama 1 1.28977600 1.30442136 1.30509006 1.30511999 1.30512133
Gama 2 1.00324422 1.00223763 1.00219990 1.00219825 1.00219818
Gama 3 1.09182662 1.09188459 1.09185372 1.09185179 1.09185170
C4: Para los parmetros de la DECHEMA: gij-gjj = Aij
 CALCULO DE LA TEMPERTURA DE BURBUJA por COEFICIENTES DE ACTIVIDAD con NRTL y GAS IDEAL (Mtodo de Newton-Raphson)

PARMETROS Para los parmetros de la DECHEMA: gij-gjj = Aij

Parmetros Binarios: (gij-gjj)[cal/mol K] Parmetros Binarios: ALFAij Constantes de Antoine

3 = Cloro 3 = Cloro
Componentes 1 = Acetona 2 = Benceno 1 = Acetona 2 = Benceno A B C
Benceno Benceno
1 = Acetona 0 -128.253 479.98 0.000 0.291 0.296 7.63130 1566.69 273.419
2 = Benceno 354.668 0 347.109 0.291 0.000 0.320 6.87987 1196.76 219.161
3 = Cloro Benceno -132.023 -245.7 0 0.296 0.320 0.000 7.17294 1549.20 229.260
R [cal/mol K]= 1.98721
B
DATOS P (bar) = 1.50 x1 = 0.067000 0
P ( mmHg ) =10
( A
T ( C)+C )
x2 = 0.874000
x3 = 0.059000

Iteracin 1 Iteracin 2 Iteracin 3 Iteracin 4 Iteracin 5

Estimacin Inicial

P (bar) 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
T (K) 300.000 301.000 362.180 363.180 364.310 365.310 364.311 365.311 364.311 Resultad
P1(bar) 0.34560 0.35966 2.71445 2.78981 2.87697 2.95590 2.87704 2.95598 2.87704
P2(bar) 0.13807 0.14448 1.32308 1.36190 1.40683 1.44753 1.40686 1.44757 1.40686
P3(bar) 0.01774 0.01872 0.26951 0.27914 0.29035 0.30059 0.29036 0.30060 0.29036
t 12 -0.215131 -0.214416 -0.178197 -0.177706 -0.177155 -0.176670 -0.177154 -0.176669 -0.177154
t 13 0.805115 0.802441 0.666891 0.665055 0.662992 0.661177 0.662990 0.661176 0.662990
t 21 0.594918 0.592941 0.492781 0.491424 0.489900 0.488559 0.489899 0.488558 0.489899
t 23 0.582238 0.580304 0.482278 0.480950 0.479459 0.478146 0.479457 0.478145 0.479457
t 31 -0.221455 -0.220719 -0.183435 -0.182930 -0.182362 -0.181863 -0.182362 -0.181863 -0.182362
t 32 -0.412136 -0.410766 -0.341379 -0.340439 -0.339383 -0.338454 -0.339382 -0.338453 -0.339382
G 12 1.064604 1.064383 1.053223 1.053073 1.052904 1.052755 1.052904 1.052755 1.052904
G 13 0.787955 0.788579 0.820862 0.821309 0.821810 0.822252 0.821811 0.822252 0.821811
G 21 0.841036 0.841520 0.866408 0.866750 0.867135 0.867473 0.867135 0.867474 0.867135
G 23 0.830011 0.830525 0.856990 0.857354 0.857764 0.858124 0.857764 0.858124 0.857764
G 31 1.067747 1.067514 1.055798 1.055640 1.055463 1.055307 1.055463 1.055307 1.055463
G 32 1.140975 1.140475 1.115432 1.115096 1.114719 1.114388 1.114719 1.114388 1.114719

Iteracin 1 Iteracin 2 Iteracin 3 Iteracin 4 Iteracin 5

CLCULOS PARA LA FASE LIQUIDA
x1 0.067000 0.067000 0.067000 0.067000 0.067000 0.067000 0.067000 0.067000 0.067000
x2 0.874000 0.874000 0.874000 0.874000 0.874000 0.874000 0.874000 0.874000 0.874000
x3 0.059000 0.059000 0.059000 0.059000 0.059000 0.059000 0.059000 0.059000 0.059000
Ln (Gama 1) 0.306786 0.305857 0.257987 0.257327 0.256586 0.255934 0.256585 0.255933 0.256585
Ln (Gama 2) 0.002626 0.002616 0.002111 0.002104 0.002097 0.002090 0.002097 0.002090 0.002097
Ln (Gama 3) 0.093394 0.093297 0.086431 0.086312 0.086178 0.086059 0.086178 0.086059 0.086178
Gama 1 1.35904955 1.35778832 1.29432151 1.29346825 1.29250992 1.29166698 1.29250913 1.29166620 1.29250913
Gama 2 1.00262958 1.00261934 1.00211333 1.00210664 1.00209914 1.00209255 1.00209914 1.00209254 1.00209914
Gama 3 1.09789433 1.09778762 1.09027652 1.09014690 1.09000040 1.08987075 1.09000028 1.08987063 1.09000028
CLCULOS DE LAS RAZONES DE EQUILIBRIO
K 1 = (P1 g1) / P 0.313124 0.325561 2.342247 2.405688 2.479009 2.545361 2.479070 2.545423 2.479070
K 2 = (P2 g2) / P 0.092290 0.096570 0.883919 0.909848 0.939853 0.967041 0.939878 0.967066 0.939878
K 3 = (P3 g3) / P 0.012982 0.013703 0.195893 0.202867 0.210991 0.218401 0.210998 0.218408 0.210998
y1=K1 x1 0.020979 0.021813 0.156931 0.161181 0.166094 0.170539 0.166098 0.170543 0.16610
y2=K2x2 0.080661 0.084402 0.772545 0.795207 0.821432 0.845194 0.821453 0.845216 0.82145
y3=K3 x3 0.000766 0.000808 0.011558 0.011969 0.012448 0.012886 0.012449 0.012886 0.01245
Sy = y 1 + y 2 + y 3 0.102406 0.107023 0.941033 0.968357 0.999974 1.028618 1.000000 1.028645 1.00000
E = ln ( Sy ) -2.278805 -2.234708 -0.060777 -0.032154 -0.000026 0.028217 0.000000 0.028243 0.000000
P calculada 0.153610 0.160535 1.411550 1.452536 1.499960 1.542928 1.500000 1.542968 1.50000
P calc / P 0.10240646 0.10702339 0.94103340 0.96835716 0.99997365 1.02861838 1.00000001 1.02864532 1.00000000
E = ln (Pcalc/P) -2.278805 -2.234708 -0.060777 -0.032154 -0.000026 0.028217 1.0051E-08 0.028243 -3.8374E-12
Nueva T 362.1799 364.3099 364.3108 364.3108
y1 normalizada 0.204863 0.166764 0.166098 0.166098 0.166098
y2 normalizada Resultad
0.787657 0.820954 0.821453 0.821453 0.821453
y3 normalizada 0.007479 0.012282 0.012449 0.012449 0.012449
C4: Para los parmetros de la DECHEMA: gij-gjj = Aij

C18: Estimacin Inicial

 CALCULO DE LA TEMPERTURA DE BURBUJA por COEFICIENTES DE ACTIVIDAD con NRTL y GAS IDEAL (SOLVER)

PARMETROS Para los parmetros de la DECHEMA: gij-gjj = Aij

Parmetros Binarios: (gij-gjj)[cal/mol K] Parmetros Binarios: ALFAij Constantes de Antoine

3 = Cloro 3 = Cloro
Componentes 1 = Acetona 2 = Benceno 1 = Acetona 2 = Benceno A B C
Benceno Benceno
1 = Acetona 0 -128.253 479.98 0.000 0.291 0.296 7.63130 1566.69 273.419
2 = Benceno 354.668 0 347.109 0.291 0.000 0.320 6.87987 1196.76 219.161
3 = Cloro Benceno -132.023 -245.7 0 0.296 0.320 0.000 7.17294 1549.20 229.260
R [cal/mol K]= 1.98721
B
DATOS P (bar) = 1.50 x1 = 0.067000 0
P ( mmHg ) =10
( A
T ( C)+C )
x2 = 0.874000
x3 = 0.059000

Estimacin Inicial
Resultado

P (bar) 1.50 CLCULOS PARA LA FASE LIQUIDA CLCULO DE LA FUNCIN ERROR

T (K) 300.000 x1 0.067000 K 1 = (P1 g1) / P 0.313124
P1(bar) 0.34560 x2 0.874000 K 2 = (P2 g2) / P 0.092290
P2(bar) 0.13807 x3 0.059000 K 3 = (P3 g3) / P 0.012982
P3(bar) 0.01774 Ln (Gama 1) 0.306786 y1=K1 x1 0.020979
t 12 -0.215131 Ln (Gama 2) 0.002626 y2=K2x2 0.080661
t 13 0.805115 Ln (Gama 3) 0.093394 y3=K3 x3 0.000766
t 21 0.594918 Gama 1 1.35904955 Sy = y 1 + y 2 + y 3 0.102406
t 23 0.582238 Gama 2 1.00262958 E = ln ( Sy) -2.278805
t 31 -0.221455 Gama 3 1.09789433 P calculada 0.153610
t 32 -0.412136 P calc / P 0.10240646
G 12 1.064604 E = ln (Pcalc/P) -2.279E+00
G 13 Utilizar Solver para
0.787955 Composicin del vapor normalizada
hacer E cero,
G 21 0.841036 moviendo la y1 0.204863
G 23 temperatura Resultado y2
0.830011 0.787657
G 31 1.067747 y3 0.007479
G 32 1.140975
C4: Para los parmetros de la DECHEMA: gij-gjj = Aij

C17: Estimacin Inicial

 CALCULO DE LA TEMPERTURA DE ROCO por COEFICIENTES DE ACTIVIDAD con NRTL y GAS IDEAL (Mtodo de Newton-Raphson)

PARMETROS Para los parmetros de la DECHEMA: gij-gjj = Aij

Parmetros Binarios: (gij-gjj)[cal/mol K] Parmetros Binarios: ALFAij Constantes de Antoine

3 = Cloro 3 = Cloro
Componentes 1 = Acetona 2 = Benceno 1 = Acetona 2 = Benceno A B C
Benceno Benceno
1 = Acetona 0 -128.253 479.98 0.000 0.291 0.296 7.63130 1566.69 273.419
2 = Benceno 354.668 0 347.109 0.291 0.000 0.320 6.87987 1196.76 219.161
3 = Cloro Benceno -132.023 -245.7 0 0.296 0.320 0.000 7.17294 1549.20 229.260
R [cal/mol K]= 1.98721
B
DATOS P (bar) = 1.50 y1 = 0.166098 0
P ( mmHg ) =10
( A
T ( C)+C )
y2 = 0.821453
y3 = 0.012449

Iteracin 1 Iteracin 2 Iteracin 3 Iteracin 4 Iteracin 5

Estimacin Inicial

P (bar) 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
T (K) 300.000 301.000 361.329 362.329 364.300 365.300 364.311 365.311 364.311 Resultad
P1(bar) 0.34560 0.35966 2.65164 2.72561 2.87622 2.95513 2.87704 2.95598 2.87704
P2(bar) 0.13807 0.14448 1.29074 1.32883 1.40644 1.44713 1.40686 1.44757 1.40686
P3(bar) 0.01774 0.01872 0.26154 0.27093 0.29026 0.30049 0.29036 0.30060 0.29036
t 12 -0.215131 -0.214416 -0.178616 -0.178123 -0.177159 -0.176674 -0.177154 -0.176669 -0.177154
t 13 0.805115 0.802441 0.668461 0.666616 0.663010 0.661195 0.662990 0.661176 0.662990
t 21 0.594918 0.592941 0.493941 0.492578 0.489913 0.488572 0.489899 0.488558 0.489899
t 23 0.582238 0.580304 0.483414 0.482079 0.479471 0.478159 0.479457 0.478145 0.479457
t 31 -0.221455 -0.220719 -0.183866 -0.183359 -0.182367 -0.181868 -0.182362 -0.181863 -0.182362
t 32 -0.412136 -0.410766 -0.342183 -0.341238 -0.339392 -0.338463 -0.339382 -0.338453 -0.339382
G 12 1.064604 1.064383 1.053352 1.053201 1.052905 1.052757 1.052904 1.052755 1.052904
G 13 0.787955 0.788579 0.820481 0.820929 0.821806 0.822248 0.821811 0.822252 0.821811
G 21 0.841036 0.841520 0.866116 0.866459 0.867132 0.867470 0.867135 0.867474 0.867135
G 23 0.830011 0.830525 0.856679 0.857045 0.857760 0.858120 0.857764 0.858124 0.857764
G 31 1.067747 1.067514 1.055933 1.055774 1.055464 1.055308 1.055463 1.055307 1.055463
G 32 1.140975 1.140475 1.115718 1.115381 1.114723 1.114391 1.114719 1.114388 1.114719
Estimacion inicial
Iteracin 1 Iteracin 2 Iteracin 3 Iteracin 4 Iteracin 5
CLCULOS PARA LA FASE LIQUIDA
x1 0.067388 0.067388 0.051045 0.051045 0.065831 0.065831 0.066948 0.066948 0.066998
x2 0.834199 0.834199 0.855693 0.855693 0.873604 0.873604 0.874023 0.874023 0.874001
x3 0.098413 0.098413 0.093262 0.093262 0.060565 0.060565 0.059029 0.059029 0.059001
Ln (Gama 1) 0.306797 0.305875 0.269218 0.268528 0.257353 0.256698 0.256619 0.255967 0.256587
Ln (Gama 2) 0.003599 0.003586 0.002137 0.002130 0.002068 0.002061 0.002095 0.002088 0.002097
Ln (Gama 3) 0.082802 0.082732 0.078021 0.077920 0.085759 0.085641 0.086169 0.086050 0.086178
Gama 1 1.35906554 1.35781316 1.30894050 1.30803719 1.29350111 1.29265477 1.29255273 1.29170964 1.29251091
Gama 2 1.00360553 1.00359232 1.00213883 1.00213241 1.00207010 1.00206360 1.00209716 1.00209057 1.00209905
Gama 3 1.08632707 1.08625042 1.08114518 1.08103658 1.08954384 1.08941523 1.08999046 1.08986083 1.08999990
CLCULOS DE LAS RAZONES DE EQUILIBRIO
K 1 = (P1 g1) / P 0.313128 0.325567 2.313891 2.376797 2.480259 2.546643 2.479153 2.545508 2.479074
K 2 = (P2 g2) / P 0.092380 0.096664 0.862337 0.887775 0.939566 0.966747 0.939876 0.967064 0.939878
K 3 = (P3 g3) / P 0.012845 0.013559 0.188506 0.195257 0.210832 0.218237 0.210996 0.218406 0.210998
x1= y1/K1 0.530447 0.510181 0.071783 0.069883 0.066968 0.065222 0.066998 0.065251 0.067000
x2= y2/K2 8.892155 8.498037 0.952590 0.925294 0.874290 0.849708 0.874002 0.849430 0.873999
x3= y3/K3 0.969157 0.918117 0.066040 0.063757 0.059047 0.057043 0.059001 0.056999 0.059001
Sx = x 1 + x 2 + x 3 10.391759 9.926334 1.090413 1.058935 1.000305 0.971974 1.000001 0.971681 1.000000
E = ln ( Sx ) 2.341013 2.295191 0.086556 0.057263 0.000305 -0.028426 0.000001 -0.028728 0.000000
P calculada 0.144345 0.151113 1.375626 1.416518 1.499543 1.543251 1.499999 1.543717 1.500000
P calc / P 0.096230 0.100742 0.917084 0.944345 0.999695 1.028834 0.999999 1.029145 1.000000
E = ln (Pcalc/P) -2.341013 -2.295191 -0.086556 -0.057263 -0.000305 0.028426 -5.956E-07 0.028728 -7.069E-10
Nueva T 361.3293 364.3002 364.3108 364.3108
x1 normalizada 0.051045 0.065831 0.066948 0.066998 0.067000
x2 normalizada Resultad
0.855693 0.873604 0.874023 0.874001 0.873999
x3 normalizada 0.093262 0.060565 0.059029 0.059001 0.059001
C4: Para los parmetros de la DECHEMA: gij-gjj = Aij

C18: Estimacin Inicial

C37: Estimacion inicial

 CALCULO DEL FLASH A T y P DADAS por COEFICIENTES DE ACTIVIDAD con NRTL y GAS IDEAL (Mtodo de Newton-Raphson)
PARMETROS Parmetros Binarios: (gij-gjj)[cal/mol K] Parmetros Binarios: ALFAij Constantes de Antoine
3 = Cloro 3 = Cloro zi
Componentes 1 = Acetona 2 = Benceno 1 = Acetona 2 = Benceno A B C
Benceno Benceno
1 = Acetona 0 -128.253 479.98 0.000 0.291 0.296 7.63130 1566.69 273.419 0.067000
2 = Benceno 354.668 0 347.109 0.291 0.000 0.320 6.87987 1196.76 219.161 0.874000
3 = Cloro Benceno -132.023 -245.7 0 0.296 0.320 0.000 7.17294 1549.20 229.260 0.059000
R [cal/mol K]= 1.98721

Iteracin 1 Iteracin 2 Iteracin 3 Iteracin 4 Iteracin 5 Iteracin 6 Iteracin 7 Iteracin 8

P (bar) 0.900 0.900 0.900 0.900 0.900 0.900 0.900 0.900
T (K) 352.00 352.00 352.00 352.00 352.00 352.00 352.00 352.00
P1(bar) 2.03596 2.03596 2.03596 2.03596 2.03596 2.03596 2.03596 2.03596
P2(bar) 0.97485 0.97485 0.97485 0.97485 0.97485 0.97485 0.97485 0.97485
P3(bar) 0.18611 0.18611 0.18611 0.18611 0.18611 0.18611 0.18611 0.18611
t 12 -0.183350081 -0.183350081 -0.183350081 -0.183350081 -0.183350081 -0.183350081 -0.183350081 -0.183350081
t 13 0.686177880 0.686177880 0.686177880 0.686177880 0.686177880 0.686177880 0.686177880 0.686177880
t 21 0.507032244 0.507032244 0.507032244 0.507032244 0.507032244 0.507032244 0.507032244 0.507032244
t 23 0.496225922 0.496225922 0.496225922 0.496225922 0.496225922 0.496225922 0.496225922 0.496225922
t 31 -0.188739661 -0.188739661 -0.188739661 -0.188739661 -0.188739661 -0.188739661 -0.188739661 -0.188739661
t 32 -0.351251938 -0.351251938 -0.351251938 -0.351251938 -0.351251938 -0.351251938 -0.351251938 -0.351251938
G 12 1.0548039 1.0548039 1.0548039 1.0548039 1.0548039 1.0548039 1.0548039 1.0548039
G 13 0.8161896 0.8161896 0.8161896 0.8161896 0.8161896 0.8161896 0.8161896 0.8161896
G 21 0.8628224 0.8628224 0.8628224 0.8628224 0.8628224 0.8628224 0.8628224 0.8628224
G 23 0.8531735 0.8531735 0.8531735 0.8531735 0.8531735 0.8531735 0.8531735 0.8531735
G 31 1.0574570 1.0574570 1.0574570 1.0574570 1.0574570 1.0574570 1.0574570 1.0574570
G 32 1.1189610 1.1189610 1.1189610 1.1189610 1.1189610 1.1189610 1.1189610 1.1189610

Iteracin 1 Iteracin 2 Iteracin 3 Iteracin 4 Iteracin 5 Iteracin 6 Iteracin 7 Iteracin 8

Estimacin inicial
CLCULOS PARA LA FASE LIQUIDA
x1 0.2000 0.02744936 0.02546131 0.02544051 0.02544049 0.02544049 0.02544049 0.02544049
x2 0.7900 0.80716091 0.81671838 0.81696753 0.81697433 0.81697453 0.81697453 0.81697453
x3 0.0100 0.16538973 0.15782031 0.15759195 0.15758518 0.15758498 0.15758497 0.15758497
Ln (Gama 1) 0.184038 0.292752 0.293929 0.293939 0.293939 0.293939 0.293939 0.293939
Ln (Gama 2) 0.014029 0.003840 0.003501 0.003492 0.003491 0.003491 0.003491 0.003491
Ln (Gama 3) 0.114711 0.063190 0.064700 0.064746 0.064747 0.064747 0.064747 0.064747
Gama 1 1.20206190 1.34011031 1.34168901 1.34170202 1.34170187 1.34170186 1.34170186 1.34170186
Gama 2 1.01412741 1.00384688 1.00350690 1.00349768 1.00349742 1.00349741 1.00349741 1.00349741
Gama 3 1.12154923 1.06522970 1.06683858 1.06688771 1.06688917 1.06688921 1.06688921 1.06688921
RESULTADOS PARA LA FASE VAPOR
y1 0.074669 0.077188 0.077216 0.077216 0.077216 0.077216 0.077216
y2 0.886960 0.888049 0.888019 0.888018 0.888018 0.888018 0.888018
y3 0.038371 0.034764 0.034766 0.034766 0.034766 0.034766 0.034766
K 1 = (P1 g1) / P 2.719278 3.031568 3.035140 3.035169 3.035169 3.035169 3.035169 3.035169
K 2 = (P2 g2) / P 1.098473 1.087338 1.086970 1.086960 1.086959 1.086959 1.086959 1.086959
K 3 = (P3 g3) / P 0.231919 0.220273 0.220605 0.220616 0.220616 0.220616 0.220616 0.220616

Iteracin 1 Iteracin 2 Iteracin 3 Iteracin 4 Iteracin 5 Iteracin 6 Iteracin 7 Iteracin 8

Prueba de Convergencia 0.017810 0.000400 0.000009 2.583E-07 7.996E-09 2.443E-10 7.414E-12
 Iteracin 1 Iteracin 2 Iteracin 3 Iteracin 4 Iteracin 5 Iteracin 6 Iteracin 7 Iteracin 8
Nombre zi zi zi zi zi zi zi zi
1 = Acetona 0.067000 0.067000 0.067000 0.067000 0.067000 0.067000 0.067000 0.067000
2 = Benceno 0.874000 0.874000 0.874000 0.874000 0.874000 0.874000 0.874000 0.874000
3 = Cloro Bencen 0.059000 0.059000 0.059000 0.059000 0.059000 0.059000 0.059000 0.059000
Nombre Ki Ki Ki Ki Ki Ki Ki Ki
1 = Acetona 2.71928 3.03157 3.03514 3.03517 3.03517 3.03517 3.03517 3.03517
2 = Benceno 1.09847 1.08734 1.08697 1.08696 1.08696 1.08696 1.08696 1.08696
3 = Cloro Bencen 0.231919 0.220273 0.220605 0.220616 0.220616 0.220616 0.220616 0.220616

V/F V/F V/F V/F V/F V/F V/F V/F

z i ( K i1 )
0.5000 0.83763688 0.80304636 0.80269411 0.80268392 0.80268362 0.80268361 0.80268361
V
1+ ( K i 1 )
F
0.0619430087
0.0503809617 0.0517609087 0.0517752828 0.0517756871 0.0517756991 0.0517756995 0.0517756995
z i ( K i1 ) 0.0820269995
0.0711295981 0.0710492746 0.0710436785 0.0710435212 0.0710435167 0.0710435166 0.0710435166
S=
V -0.0735710732-0.132625131 -0.1229164451 -0.1228220315 -0.1228193006 -0.1228192186 -0.1228192161 -0.122819216
1+ ( K i 1 ) 0.070398935 -0.0111145712 -0.0001062618 -3.0701925E-06 -9.2304526E-08 -2.7794163E-09 -8.3718824E-11 -2.5219826E-12
F
2
z i ( K i 1 )
2 -0.0572677063 -0.0378841986 -0.0399879354 -0.0400101479 -0.0400107728 -0.0400107913 -0.0400107919 -0.0400107919
V
( 1
F
( K i 1 ) ) -0.007698431
-0.0917407256
-0.0057888097 -0.005775743 -0.0057748332 -0.0057748077 -0.0057748069 -0.0057748069 -0.0057748069
-0.2981258539 -0.2560754657 -0.2556822273 -0.2556708578 -0.2556705161 -0.2556705058 -0.2556705055
2
z i ( K i1 ) -0.1567068629 -0.3417988622 -0.3018391441 -0.3014672085 -0.3014564383 -0.3014561143 -0.3014561046 -0.3014561043
S =
'
2

(1+ VF ( K 1 ) ) i

V/F V/F V/F V/F V/F V/F V/F V/F

( VF ) =( VF ) SS
nueva
'
0.949239642 0.8051190128 0.8026943134 0.8026839229 0.8026836166 0.8026836074 0.8026836071 0.8026836071

0.0437657041 0.0516437529 0.0517749902 0.0517756903 0.0517756994 0.0517756995 0.0517756995 0.0517756995

z i ( K i1 ) 0.0787084755 0.0713183373 0.071051308 0.0710437373 0.071043523 0.0710435167 0.0710435166 0.0710435166
S= -0.1672781396 -0.1235910702 -0.1228263604 -0.1228194276 -0.1228192224 -0.1228192162 -0.122819216 -0.122819216
V
1+ ( K i 1 ) -0.04480396 -0.00062898 -6.218295E-08 -5.1947981E-11 -4.6976312E-14 0 0 0
F
2 -0.0285886097 -0.0398071226 -0.0400096957 -0.0400107776 -0.0400107917 -0.0400107919 -0.0400107919 -0.0400107919
z i ( K i1 )
S ' = -0.0070881283 -0.0058195712 -0.0057760736 -0.0057748428 -0.005774808 -0.0057748069 -0.0057748069 -0.0057748069
2
V -0.4742707797 -0.2588941126 -0.2557002509 -0.2556713864 -0.2556705319 -0.2556705063 -0.2556705055 -0.2556705055
( 1+
F
( K i 1 ) ) -0.5099475177 -0.3045208065 -0.3014860203 -0.3014570069 -0.3014561316 -0.3014561051 -0.3014561043 -0.3014561043

V/F V/F V/F V/F V/F V/F V/F V/F

( VF ) =( VF ) SS
nueva
'
0.861379699 0.8030535382 0.8026941071 0.8026839228 0.8026836166 0.8026836074 0.8026836071 0.8026836071

0.0464304312 0.0517261046 0.0517749985 0.0517756903 0.0517756994 0.0517756995 0.0517756995 0.0517756995

z i ( K i1 ) 0.0793362048 0.0713303595 0.0710513092 0.0710437373 0.071043523 0.0710435167 0.0710435166 0.0710435166
S= -0.1339186646 -0.1230586347 -0.1228263076 -0.1228194276 -0.1228192224 -0.1228192162 -0.122819216 -0.122819216
V
1+ ( K i 1 ) -0.00815203 -2.1705429E-06 -2.1323221E-14 0 0 0 0 0
F
-0.0321758947 -0.0399341776 -0.0400097084 -0.0400107777 -0.0400107917 -0.0400107919 -0.0400107919 -0.0400107919
z i ( K i1 ) 2
S =
' -0.00720164 -0.0058215334 -0.0057760738 -0.0057748428 -0.005774808 -0.0057748069 -0.0057748069 -0.0057748069
2

(1 + VF ( K 1 )) i
-0.3039696395 -0.256668264 -0.2557000313 -0.2556713862 -0.2556705319
-0.3433471742 -0.302423975 -0.3014858136 -0.3014570067 -0.3014561316
-0.2556705063
-0.3014561051
-0.2556705055
-0.3014561043
-0.2556705055
-0.3014561043

V/F V/F V/F V/F V/F V/F V/F V/F

( VF ) =( VF ) SS
nueva
'
0.837636884 0.803046361 0.802694107 0.802683923 0.802683617 0.802683607 0.802683607 0.802683607

0.0472071575 0.0517263913 0.0517749985 0.0517756903 0.0517756994 0.0517756995 0.0517756995 0.0517756995

z i ( K i1 ) 0.0795075614 0.0713304013 0.0710513092 0.0710437373 0.071043523 0.0710435167 0.0710435166 0.0710435166
S= -0.1270706218 -0.1230567926 -0.1228263076 -0.1228194276 -0.1228192224 -0.1228192162 -0.122819216 -0.122819216
V -0.0003559 -2.59633E-11 0 0 0 0 0 0
1+ ( K i 1 )
F
Clculo de nuevas composiciones:
Zi xi xi xi xi xi xi xi xi
x i=
V 0.0274575437 0.0254613097 0.0254405138 0.0254404858 0.0254404944 0.0254404948 0.0254404948 0.0254404948
1+ ( K i1 )
F 0.8074015341 0.8167183808 0.8169675328 0.8169743343 0.8169745280 0.8169745337 0.8169745339 0.8169745339
0.1654390396 0.1578203095 0.1575919533 0.1575851799 0.1575849776 0.1575849715 0.1575849713 0.1575849713
S x= xi 1.0002981174 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000
yi yi yi yi yi yi yi yi
Zi Ki 0.0746647012 0.0771877010 0.0772155123 0.0772161761 0.0772161938 0.0772161942 0.0772161943 0.0772161943
y i= 0.8869090954 0.8880487821 0.8880188420 0.8880180716 0.8880180510 0.8880180504 0.8880180504 0.8880180504
V
1+ K 1)
F( i 0.0383684178 0.0347635169 0.0347656457 0.0347657523 0.0347657552 0.0347657553 0.0347657553 0.0347657553
0.9999422145 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000
S y = yi
Clculo de nuevas composiciones NORMALIZADAS:
xi xi xi xi xi xi xi xi

x 0.0274493606 0.0254613097 0.0254405138 0.0254404858 0.0254404944 0.0254404948 0.0254404948 0.025440

x i= i 0.8071609053 0.8167183808 0.8169675328 0.8169743343 0.8169745280 0.8169745337 0.8169745339 0.816975
Sx 0.1653897341 0.1578203095 0.1575919533 0.1575851799 0.1575849776 0.1575849715 0.1575849713 0.157585
1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000
yi yi yi yi yi yi yi yi

yi 0.0746690160 0.0771877010 0.0772155123 0.0772161761 0.0772161938 0.0772161942 0.0772161943 0.077216

y i= 0.8869603489 0.8880487821 0.8880188420 0.8880180716 0.8880180510 0.8880180504 0.8880180504 0.888018
Sy 0.0383706351 0.0347635169 0.0347656457 0.0347657523 0.0347657552 0.0347657553 0.0347657553 0.034766
1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000 1.0000000000
 CALCULO DEL FLASH A T y P DADAS por COEFICIENTES DE ACTIVIDAD con NRTL y GAS IDEAL (Solver)
PARMETROS Parmetros Binarios: (gij-gjj)[cal/mol K] Parmetros Binarios: ALFAij Constantes de Antoine
3 = Cloro 3 = Cloro zi
Componentes 1 = Acetona 2 = Benceno 1 = Acetona 2 = Benceno A B C
Benceno Benceno
1 = Acetona 0 -128.253 479.98 0.000 0.291 0.296 7.63130 1566.69 273.419 0.067000
2 = Benceno 354.668 0 347.109 0.291 0.000 0.320 6.87987 1196.76 219.161 0.874000
3 = Cloro Benceno -132.023 -245.7 0 0.296 0.320 0.000 7.17294 1549.20 229.260 0.059000
R [cal/mol K]= 1.98721

Estimacin inicial
P (bar) 0.900 FASE LQUIDA
T (K) 352.00 x1 0.900000 K 1 = (P1 g1) / P 2.267565
P1(bar) 2.03596 x2 0.090000 K 2 = (P2 g2) / P 1.339071
P2(bar) 0.97485 x3 0.010000 K 3 = (P3 g3) / P 0.313590
P3(bar) 0.18611 Suma 1.000000
Estimacin inicial
t 12 -0.183350081 Ln (Gama 1) 0.002378 V/F 0.802674
t 13 0.686177880 Ln (Gama 2) 0.212084
t 21 0.507032244 Ln (Gama 3) 0.416409 Error Eq 1 -2.0308E+00
t 23 0.496225922 Gama 1 1.00238120 Error Eq 2 -3.0516E-02
t 31 -0.188739661 Gama 2 1.23625118 Error Eq 3 8.9686E-01
t 32 -0.351251938 Gama 3 1.51650625 Error BM 1 1.1862E-01
G 12 1.0548039 Error BM 2 -7.8400E-01
G 13 0.8161896 FASE VAPOR Error BM 3 6.6538E-01
G 21 0.8628224 y1 0.010000
G 23 0.8531735 y2 0.090000 Estimacin inicial

G 31 1.0574570 y3 0.900000
G 32 1.1189610 Suma 1.000000

xi
0.0254404948 Iteracin 1
0.8169745339
0.1575849713
 1 Iteracin 1
yi Nombre zi
0.0772161943 1 = Acetona 0.067000
0.8880180504 2 = Benceno 0.874000
0.0347657553 3 = Cloro Bencen 0.059000
Nombre Ki
1 = Acetona 2.26756
2 = Benceno 1.33907
3 = Cloro Bencen 0.313590

V/F
z i ( K i1 )
0.5000
V
1+ ( K i 1 )
F
0.0519817366
z i ( K i1 ) 0.253389796
S=
V -0.0616603649
1+ ( K i 1 ) 0.243711168
F
2
z i ( K i 1 )
2 -0.0403298648
V
( 1
F
( K i 1 ) ) -0.0734626873
-0.0644406881
2
z i ( K i1 ) -0.1782332403
S =
'
2

(1+ VF ( K 1 ) ) i

V/F

( VF ) =( VF ) SS
nueva
'
1.867372143

0.025223184
z i ( K i1 ) 0.1814556713
S= 0.1437209984
V
1+ ( K i 1 ) 0.350399854
F
2 -0.0094956569
z i ( K i1 )
S ' = -0.0376729527
2
V -0.3500970405
( 1+ K 1 )
F ( i ) -0.3972656501

V/F

( VF ) =( VF ) SS
nueva
'
2.749401218

0.0189355644
z i ( K i1 ) 0.1533701299
S= 0.0456463205
V
1+ ( K i 1 ) 0.217952015
F
2 -0.0053515761
z i ( K i1 )
S =
' -0.0269134974
2

(1 + VF ( K 1 )) i
-0.0353150267
-0.0675801002

V/F

( VF ) =( VF ) SS
nueva
'
0.471258361

0.0531673205
z i ( K i1 ) 0.255518976
S= -0.0598622451
V 0.248824051
1+ ( K i 1 )
F
Clculo de nuevas composiciones:
Zi xi
x i=
V 0.0419444557
1+ ( K i1 )
F 0.7535845463
0.0872105835
S x= xi 0.8827395855
yi
Zi Ki 0.0951117762
y i= 1.0091035223
V
1+ K 1)
F( i 0.0273483384
1.1315636369
S y = yi
Clculo de nuevas composiciones NORMALIZADAS:
xi

xi 0.0475162283

x i= 0.8536884022
Sx 0.0987953695
1.0000000000
yi

yi 0.0840534046
y i= 0.8917779693
Sy 0.0241686260
1.0000000000