METODO UNIFAC PARA COEFICIENTES DE ACTIVID

Compuestos Metanol A
Acetona B
PARAMETROS GENERALES PARAMETROS DE LAS SUSTANCIAS PURAS
Temperatura de la Volumen funcional relativo Area funcional relativa
mezcla 328 K (Rx) (Qx)
Composición de la x (A) 1 CH3 0.9011
mezcla X(B) 0 CH3CO 1.6724
R=
Numero de Q=
componentes NC 2 OH 1
Formulas X1 CH3-OH
moleculares X2 CH3CO
Numero de grupos NG 3

EVALUACION
Area parcial de grupo funcional
Volumenes moleculares relativos (ri) Area molecular relativa (qi) (eki)
1.9011 2.048 0.41406 0.36301
r q
2.5735 2.336 0.00000 0.63699
eki
0.58594 0.00000

Coeficiente de actividad Coeficientes de actividad Coeficiente de

residual combinatorio actividad UNIFAC
gamma
Ln gamma1R 0.00000 Ln gamma1C 0.00000 1 1.00000
gamma
Ln gamma2R 0.81648 Ln gamma2C 0.13064 2 2.57828

GAMMA
FRACCION METHA FRACCION AC PHI SK J L R X1
0.4140625 0.777782325214 1 1
0 0.550444712494 1.353689969 1.140625
1 0 0.5859375 0.606395929078 - - 0
0.408320493066256 0.797164147393 0.965839235 0.98613251156
0.071648690292758 0.569733627512 1.307446884 1.12480739599
0.9 0.1 0.520030816640986 0.583596470926 - - 0.0088078
0.40273556231003 0.81601576775 0.933935291 0.9726443769
0.141337386018237 0.58849488224 1.264258835 1.1094224924
0.8 0.2 0.455927051671733 0.561420706158 - - 0.0343413
0.397301349325337 0.834358648727 0.904071675 0.95952023988
0.209145427286357 0.606749836241 1.223832758 1.09445277361
0.7 0.3 0.393553223388306 0.539843387816 - - 0.0755187
0.392011834319527 0.852213109797 0.904071675 0.94674556213
0.275147928994083 0.624518711585 1.307446884 1.0798816568
0.6 0.4 0.332840236686391 0.518840613454 - - 0.1315497
0.386861313868613 0.869598402546 0.849729585 0.93430656934
0.339416058394161 0.641820667577 1.150270415 1.06569343066
0.5 0.5 0.2018911
 0.5 0.5 0.273722627737226 0.498389736812 - - 0.2018911
0.381844380403458 0.886532779922 0.849729585 0.92219020173
0.402017291066282 0.658673869667 1.353689969 1.05187319885
0.4 0.6 0.216138328530259 0.478469286365 - - 0.2862145
0.376955903271693 0.669053049175 0.801549891 0.91038406828
0.209145427286357 0.42122533313 1.085050047 1.03840682788
0.3 0.7 0.160028449502134 0.305313365048 - - 0.8909983
0.372191011235955 0.919117185827 0.779452403 0.89887640449
0.522471910112359 0.691102081555 1.055136899 1.02528089888
0.2 0.8 0.105337078651685 0.440139206152 - - 0.4964434
0.36754507628294 0.934799278544 0.758540614 0.88765603329
0.580443828016644 0.706709001839 1.026828821 1.01248266297
0.1 0.9 0.052011095700416 0.421691858254 - - 0.6226056
0.363013698630137 0.950094689522 0.738721585 0.87671232877
0.636986301369863 0.721931093952 1 1
0 1 0 0.40369937647 - - 0.7632529

GRAFICAS

GRAFICA DE Xethanol vs Gamma 2

S DE ACTIVIDAD

STANCIAS PURAS PARAMETROS DE LAS SUSTANCIAS EN MEZCLA

Area funcional relativa Matriz de frecuencia de grupos
(Qx) secundarios (vx) para cada compuesto Matriz de parametros de energía (amk)
0.848 1 1 CH2 0
1.488 0 1 CH3CO 26.76
v= a=
1.2 1 0 OH 156.4

EVALUACION DE LOS PARAMETROS DE LA MEZCLA

Energia parcial por grupo Area Fraccional por
Energia funcional por interaccion de grupos funcionales funcional en cada especie grupo funcional
1.00000 0.23400 0.04941 0.77778 0.95009
0.92165 1.00000 0.60561 0.55044 0.72193
beta Phi o
0.62075 0.77407 1.00000 0.60640 0.40370
Tau theta

GAMMA C GAMMA
GAMMA R X2 GAMMA C X1 X2 GAMMA X1 X2

0.8164845304 0 0.130638193 1 2.5782805

0.6478934386 0.0016013179 0.099732788 1.010463486 2.1119807

0.5028578837 0.0060477543 0.074393735 1.041215738 1.7811365

0.3791534802 0.0128682057 0.05385594 1.092410654 1.5418907

0.2749949524 0.0058074984 0.188468845 1.147237913 1.5895704

0.1889591096 0.0321068352 0.02467288 1.263641939 1.2381669

0.1889591096 0.0321068352 0.02467288 1.263641939 1.2381669

0.1199271149 0.0208039237 0.354102127 1.359366023 1.606454

0.8529781354 0.0568253283 0.008017666 2.580088418 2.3655151

0.0296738208 0.0706578413 0.003391648 1.763148755 1.0336182

0.0074032021 0.0852298417 0.000807947 2.029593233 1.008245

0 0.1003923968 0 2.371790886 1
MEZCLA

z de parametros de energía (amk)

476.4 986.5
0 164.5

84 0

Energia fraccional
Area Fraccional por por grupo funcional Volumen fraccional Area fraccional evaluada en
grupo funcional (sk) Evaluado en reparto (Ji) reparto (Li)
0.41406 0.77778 1.00000 1.00000
J L
0.00000 0.55044 1.35369 1.14063
sk
0.58594 0.60640
 ANALISIS DE PRESION

Temperatura (K) 328 K

Constantes de Antoine

COMPUESTO A B C Kpa
CH3-OH 16.5785 3638.27 239.5
CH3CO 14.3145 2756.22 228.06

φi 1 1 1 1 1
°C 54.85 54.85 54.85 54.85 54.85
T
K 328 328 328 328 328

Xac 0.00 0.10 0.20 0.30 0.40

xMetha 1 0.9 0.8 0.7 0.60

KPa 67.91 67.91 67.91 67.91 67.91

Pmetha
Bar 0.679 0.679 0.679 0.679 0.679

Kpa 96.75 96.75 96.75 96.75 96.75

P Acetona
Bar 0.967 0.967 0.967 0.967 0.967

Gamma de Unifac XAC 2.57828055 2.1119806988 1.78113646 1.54189075 1.58957041

Xmet 1 1.0104634861 1.04121574 1.09241065 1.14723791

Kpa 67.91 82.19 91.03 96.68 108.26

P0
Bar 0.679 0.822 0.910 0.967 1.083

Yace y1 0 0.2486088223 0.37860582 0.46288998 0.56822263

Ymetha y2 1 0.7513911777 0.62139418 0.53711002 0.43177737

Tc Vc
Para ij ω Pc bar Zc Kjj
K cm3/mol

Acetona 11 0.307 508.2 47.01 0.2330 209 0

Methanol 22 0.564 512.6 80.97 0.2240 118 0
Mezcla 12 0.4355 510.4 60.9 0.2285 159.2 0

par T.reida(K) B0 B1 B^ij Bij d1,2

1.1 0.64541519 -0.76729526 -0.942941747 -1.05677838 -949.813522
2.2 0.63987515 -0.7791048 -0.982833568 -1.33342293 -701.830767
1.2 0.6426392 -0.77317967 -0.962707116 -1.19243862 -830.746254 -9.84821827
 PHI ACET 1.00984806 1.0048595364 1.0017891 0.99983598 0.99583069
φi
PHI METHA 1.00829367 1.0047908019 1.00325028 1.00307577 1.00144278

Kpa 67.2452777 81.890566469 90.928313 96.688941 108.454376

PR 1
Bar 0.67245278 0.8189056647 0.90928313 0.96688941 1.08454376

TOL DIFERENCIA 0.66223548 0.2986554512 0.1010196 0.00851878 0.19570476

TOL % 0.97520208 0.3633754453 0.11097478 0.00881127 0.18077513

GRAGICA
DONDE i Acetona 1
j Methanol 2

1 1 1 1 1 1 PASO 1
54.85 54.85 54.85 54.85 54.85 54.85
328 328 328 328 328 328

0.50 0.60 0.70 0.80 0.90 1.00

0.5 0.4 0.3 0.2 0.1 0

67.91 67.91 67.91 67.91 67.91 67.91 PASO 2

0.679 0.679 0.679 0.679 0.679 0.679

96.75 96.75 96.75 96.75 96.75 96.75

0.967 0.967 0.967 0.967 0.967 0.967 PASO 3

1.23816691 1.60645396 2.3655151 1.03361821 1.00824495 1

1.26364194 1.35936602 2.58008842 1.76314876 2.02959323 2.37179089 PASO 4

102.80 130.18 212.76 103.95 101.57 96.75 PASO 5

1.028 1.302 2.128 1.039 1.016 0.967

0.58263402 0.71635201 0.7529544 0.76962949 0.8643104 1

0.41736598 0.28364799 0.2470456 0.23037051 0.1356896 0 PASO 6

R
cm3*bar/m
ol*k

83.14
0.99773951 0.98829231 0.960215 0.99740959 0.99827097 1
1.00586531 1.00114618 1.01112752 1.01850527 1.02611114 1.03644087 PASO 7

102.89761 130.614498 214.94105 104.008698 101.597341 96.7478807

1.0289761 1.30614498 2.1494105 1.04008698 1.01597341 0.96747881

0.09720684 0.43742139 2.17783269 0.06219149 0.02387162 0

0.09455881 0.33602029 1.02359455 0.05983028 0.02350182 0