Obtencion de parametros binarios

clave Compuesto A B C 𝛾𝑖=𝑃𝑦𝑖/(𝑃𝑖°𝑥𝑖)

1 metanol 16.4948 3593.39 -35.2249
2 agua 16.5362 3985.44 -38.9974
𝐺𝐸/𝑅𝑇=𝑥1𝑙𝑛𝛾1+
T(K): 333.15

psat1 (kpa): 84.21834391 𝐺𝐸/𝑥1𝑥2𝑅𝑇=(𝐴21

psat2 (kpa): 19.83234418

P(kpa) x1 y1 ɣ1 ɣ2
19.953 0 0 #DIV/0! 1.00608379
39.223 0.1686 0.5714 1.57839893 1.01955088
42.984 0.2167 0.6268 1.476285 1.03263368
48.852 0.3039 0.6943 1.32523262 1.08176295
52.784 0.3681 0.7345 1.2506091 1.11826419
56.652 0.4461 0.7742 1.16742635 1.16448465
60.614 0.5282 0.8085 1.10166075 1.24053704
63.998 0.6044 0.8383 1.05398569 1.31900393
67.924 0.6804 0.8733 1.03517962 1.35774761
70.229 0.7255 0.8922 1.02549746 1.39065322
72.832 0.7776 0.9141 1.01660677 1.41842562
84.562 1 1 1.00408054 #DIV/0!

parametros de mezcla binaria

0.7
0.6 f(x) = − 0.227817486595737 x + 0.718059045213761
0.5
GE/X1X2RT

0.4
0.3
0.2
0.1
0
0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9
x1
0.1
0
0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9
x1

Ajuste con los parametros de la ecuacion de Marguless

𝑙𝑛𝛾1= 〖𝑥 2 〗 ^2 [𝐴_12+
Parametros obtenidos:
A21: 0.4903
A12: 0.7181
𝑙𝑛𝛾2= 〖𝑥 1 〗 ^2 [𝐴_21

P(kpa) x1 x2 lnɣ1 lnɣ2

19.953 0 1 0.7181 0
39.223 0.1686 0.8314 0.44327342 0.0247046
42.984 0.2167 0.7833 0.38002088 0.03978223
48.852 0.3039 0.6961 0.28086911 0.07457158
52.784 0.3681 0.6319 0.21977087 0.10544338
56.652 0.4461 0.5539 0.15796076 0.14779258
60.614 0.5282 0.4718 0.10627856 0.19676197
63.998 0.6044 0.3956 0.0692878 0.24494614
67.924 0.6804 0.3196 0.04168603 0.29439071
70.229 0.7255 0.2745 0.02920291 0.32389605
72.832 0.7776 0.2224 0.01799545 0.35773328
84.562 1 0 0 0.4903

graficar P (Kpa) VS x1 y1

90

80

70

60

50
P (kpa)

40

30
 50

P (kpa)
40

30

20

10

0
0 0.2 0.4 0.6

x1 y1
𝛾𝑖=𝑃𝑦𝑖/(𝑃𝑖°𝑥𝑖)

𝐺𝐸/𝑅𝑇=𝑥1𝑙𝑛𝛾1+𝑥2𝑙𝑛𝛾2

𝐺𝐸/𝑥1𝑥2𝑅𝑇=(𝐴21−𝐴12)𝑥1+𝐴12

lnɣ1 lnɣ2 GE/RT GE/x1x2RT

#DIV/0! 0.00606536 #DIV/0! #DIV/0!
0.45641099 0.01936222 0.09304864 0.663807936
0.3895288 0.03211251 0.10956462 0.6454807447
0.281588 0.07859207 0.14028253 0.6631339622
0.22363071 0.11177765 0.15295076 0.6575631613
0.15480163 0.15227863 0.15340414 0.6208311346
0.09681881 0.21554438 0.15283353 0.6132849735
0.05257888 0.27687685 0.14131115 0.5910111918
0.03457495 0.30582716 0.12126716 0.5576633746
0.02517782 0.32977358 0.10878936 0.5462691161
0.01647038 0.34954754 0.09054674 0.5235784808
0.00407223 #DIV/0! #DIV/0! #DIV/0!

Parametros obtenidos:
A21: 0.4903
A12: 0.7181
 n de Marguless

= 〖𝑥 2 〗 ^2 [𝐴_12+2(𝐴_21−𝐴_12 )𝑥1] 𝑃^∗=𝛾1𝑃1°𝑥1+𝛾2𝑃2°𝑥2

2= 〖𝑥 1 〗 ^2 [𝐴_21+2(𝐴_12−𝐴_21 )𝑥2]〖𝑦 1 〗 ^∗=(𝛾1𝑃1°𝑥1)/𝑃^∗

ɣ1 ɣ2 P*(kpa) y1*
2.05053349 1 19.8323442 0
1.55779821 1.02501229 39.0205371 0.5668683702
1.46231512 1.04058414 42.852556 0.6227731035
1.32428026 1.07742247 48.7677038 0.6950003058
1.24579124 1.11120318 52.5461539 0.7349822574
1.17112024 1.15927242 56.7335215 0.775533685
1.11213163 1.21745422 60.8638045 0.8128346155
1.07174461 1.2775525 64.5767425 0.844785262
1.04256709 1.34230825 68.2494572 0.8753380602
1.02963349 1.38250359 70.4373469 0.8931487329
1.01815834 1.43008414 72.9850322 0.913575551
1 1.63280599 84.2183439 1

experimental x1
experimental y1
ajuste Margules x1
ajuste margules y1
 experimental x1
experimental y1
ajuste Margules x1
ajuste margules y1

0.2 0.4 0.6 0.8 1 1.2

x1 y1
 Obtencion de parametros binarios

clave Compuesto A B C
1 metanol 16.4948 3593.39 -35.2249
2 agua 16.5362 3985.44 -38.9974

T(K): 333.15

psat1 (kpa): 84.218343912

psat2 (kpa): 19.832344185

P(kpa) x1 y1 ɣ1
19.953 0 0 #DIV/0!
39.223 0.1686 0.5714 1.578398925
42.984 0.2167 0.6268 1.476285
48.852 0.3039 0.6943 1.325232618
52.784 0.3681 0.7345 1.250609098
56.652 0.4461 0.7742 1.167426354
60.614 0.5282 0.8085 1.101660746
63.998 0.6044 0.8383 1.053985692
67.924 0.6804 0.8733 1.035179616
70.229 0.7255 0.8922 1.025497461
72.832 0.7776 0.9141 1.016606766
84.562 1 1 1.004080537

parametros mezcla binaria

2.5

2
f(x) = 0.638225565634866 x + 1.3475574032824
1.5
x1x2RT/GE

0.5

0
0.1 0.2 0.3 0.4 0.5 0.6 0.7 0
x1
 1.5

x1x2RT/
1

0.5

0
0.1 0.2 0.3 0.4 0.5 0.6 0.7 0
x1

Ajuste con los parametros de la ecuacion DE VAN LAAR

P(kpa) x1 x2
19.953 0 1
39.223 0.1686 0.8314
42.984 0.2167 0.7833
48.852 0.3039 0.6961
52.784 0.3681 0.6319
56.652 0.4461 0.5539
60.614 0.5282 0.4718
63.998 0.6044 0.3956
67.924 0.6804 0.3196
70.229 0.7255 0.2745
72.832 0.7776 0.2224
84.562 1 0

graficar P (Kpa) VS x1 y1

90

80

70

60

50
P (kpa)

40

30

20

10
 50

P (kpa)
40

30

20

10

0
0 0.2 0.4 0.6 0.8 1 1.2

x1 y1
 𝛾𝑖=𝑃𝑦𝑖/(𝑃𝑖°𝑥𝑖)

𝐺𝐸/𝑅𝑇=𝑥1𝑙𝑛𝛾1+𝑥2𝑙𝑛𝛾2

ɣ2 lnɣ1 lnɣ2 GE/RT x1x2RT/GE

1.00608379 #DIV/0! 0.006065358 #DIV/0! #DIV/0!
1.019550879 0.456410995 0.019362216 0.09304864 1.506459844379
1.032633679 0.389528797 0.032112508 0.109564618 1.549232890679
1.081762949 0.281588004 0.07859207 0.140282535 1.507990929403
1.118264189 0.223630711 0.111777652 0.152950763 1.520766458469
1.16448465 0.154801629 0.152278628 0.153404139 1.610743959602
1.240537039 0.09681881 0.215544382 0.152833535 1.630563348625
1.319003926 0.052578875 0.27687685 0.141311154 1.692015335619
1.357747609 0.034574953 0.305827157 0.121267158 1.793196479382
1.39065322 0.025177823 0.329773579 0.108789358 1.830599553584
1.418425617 0.016470382 0.349547536 0.090546741 1.909933346659
#DIV/0! 0.004072234 #DIV/0! #DIV/0! #DIV/0!

parametros obtenidos
zcla binaria
1/ A12 : 1.3476
A12: 0.7420599584
A21: 0.5036
3475574032824
((0.742059−𝐴21)/(𝐴21∗0.742059))=0.6382

0.5 0.6 0.7 0.8 0.9

x1
0.5 0.6 0.7 0.8 0.9
x1

n DE VAN LAAR

〖𝑦 1 〗 ^∗=(𝛾1𝑃1°𝑥1)/𝑃^∗

lnɣ1 lnɣ2 ɣ1 ɣ2 P* y1*

0.74205996 0 2.1002575 1 19.832344185 0
0.43989105 0.02665591 1.55253806 1.02701436 38.97885848 0.56555834
0.3744998 0.04223441 1.45426381 1.04313897 42.745307064 0.62089815
0.27479336 0.07717518 1.31625865 1.08023129 48.601175834 0.69315739
0.21487116 0.10744008 1.23970216 1.11342414 52.385220894 0.73363678
0.15518376 0.14832053 1.16787255 1.15988461 56.618231421 0.77495783
0.10569625 0.19520628 1.11148421 1.2155617 60.81729662 0.81298266
0.0702007 0.24145213 1.07272345 1.27309651 64.591606625 0.84536223
0.04335843 0.28956224 1.04431214 1.33584258 68.308470387 0.87604572
0.03097617 0.31883875 1.03146092 1.3755295 70.511036666 0.89379885
0.01960687 0.35318676 1.01980034 1.42359699 73.06395105 0.91406052
0 0.5036 1 1.65466736 84.218343912 1

experim x1
experim y1
van laar x1
Van laar y1
 experim x1
experim y1
van laar x1
Van laar y1

.8 1 1.2
 Obtencion de parametros binarios

clave Compuesto A B
1 metanol 16.4948 3593.39
2 agua 16.5362 3985.44

T(K): 333.15
R(cal/mol): 1.9872
psat1 (kpa): 84.2183439122133
psat2 (kpa): 19.8323441846013
PM1 (g/mol) 32.04
PM2 (g/mol) 32.04

P(kpa) x1 y1
19.953 0 0
39.223 0.1686 0.5714
42.984 0.2167 0.6268
48.852 0.3039 0.6943
52.784 0.3681 0.7345
56.652 0.4461 0.7742
60.614 0.5282 0.8085
63.998 0.6044 0.8383
67.924 0.6804 0.8733
70.229 0.7255 0.8922
72.832 0.7776 0.9141
84.562 1 1

valores propuestos:

λ12-λ11 204.801698971648 se uso solver para encontrar estos

λ21-λ22 260.058985566251

ρL1 (g/ml) 0.753926201482786

ρL2 (g/ml) 0.994817348526682

obtencion de volumen molar

VL1 (ml/mol) 42.497528189079
VL2(ml/mol) 32.2069172270176

parametros de la ecuacion de wilson:

 A12 0.556206241300989
A21 0.89087379014664

Ajuste con los parametros de la ecuacion de Wilson.

P(kpa) x1 x2
19.953 0 1
39.223 0.1686 0.8314
42.984 0.2167 0.7833
48.852 0.3039 0.6961
52.784 0.3681 0.6319
56.652 0.4461 0.5539
60.614 0.5282 0.4718
63.998 0.6044 0.3956
67.924 0.6804 0.3196
70.229 0.7255 0.2745
72.832 0.7776 0.2224
84.562 1 0

90

80

70

60

50
P (kpa)

40

30
 60

50

P (kpa)
40

30

20

10

0
0 0.2 0.4 0.6

x1 y1
 𝛾𝑖=𝑃𝑦𝑖/(𝑃𝑖°𝑥𝑖)

𝐺𝐸/𝑅𝑇=𝑥1𝑙𝑛𝛾1+𝑥2𝑙𝑛𝛾2 Experimental

𝜌𝐿=𝐴𝐵^(−
C 〖 (1−𝑇/𝑇𝑐) 〗 ^𝑛 )
-35.2249
-38.9974

ɣ1 ɣ2 lnɣ1 lnɣ2 GE/RT exp GE/RT Teor

#DIV/0! 1.00608379 #DIV/0! 0.006065358 #DIV/0! 0
1.57839892545924 1.019550879 0.456410995 0.019362216 0.09304864018 0.0930629220449
1.4762849995366 1.032633679 0.389528797 0.032112508 0.10956461809 0.1113055987679
1.32523261753782 1.081762949 0.281588004 0.07859207 0.14028253478 0.1357696324766
1.25060909796546 1.118264189 0.223630711 0.111777652 0.15295076289 0.1470508305925
1.16742635419343 1.16448465 0.154801629 0.152278628 0.15340413883 0.1534970119145
1.10166074555946 1.240537039 0.09681881 0.215544382 0.15283353462 0.1521054418125
1.0539856923499 1.319003926 0.052578875 0.27687685 0.1413111542 0.1436759206792
1.03517961556754 1.357747609 0.034574953 0.305827157 0.12126715756 0.128731703208
1.02549746114181 1.39065322 0.025177823 0.329773579 0.1087893579 0.1168873104713
1.01660676634593 1.418425617 0.016470382 0.349547536 0.09054674096 0.1005269115692
1.00408053723005 #DIV/0! 0.004072234 #DIV/0! #DIV/0! 0

olver para encontrar estos valores

cion de Wilson.

〖𝑦 1 〗 ^∗=(𝛾1𝑃1°𝑥1)/𝑃^∗

lnɣ1 lnɣ2 ɣ1 ɣ2 P1* y1*

0.695742325774 0 2.005197 1 19.832344185 0
0.438664510539 0.0229782 1.550635 1.0232442 38.889672276 0.566160492482
0.380240476342 0.0369047 1.4626363 1.0375942 42.811969028 0.623500414504
0.288348554292 0.0691575 1.3342223 1.0716049 48.94184635 0.697726525566
0.231045599107 0.0981215 1.2599167 1.1030968 52.882463293 0.738588713264
0.171913194189 0.138665 1.1875747 1.1487392 57.23600492 0.779525918434
0.120832109721 0.1871173 1.1284354 1.2057687 61.479724871 0.8164881709
0.082632913708 0.2369378 1.086143 1.2673623 65.229695035 0.847564626868
0.052545342134 0.2909257 1.0539503 1.3376652 68.87231284 0.876892764641
0.038193200431 0.3248748 1.0389319 1.3838574 71.012855751 0.893910898321
0.024661336216 0.3657835 1.0249679 1.4416431 73.481964033 0.913466186011
0 0.5593463 1 1.7495284 84.218343912 1

exper x1
experi y1
wilson x1
wilson y1
 exper x1
experi y1
wilson x1
wilson y1

0.2 0.4 0.6 0.8 1 1.2

x1 y1
 Teorico

(GE/RT Teor- GE/RT exp)^(2)

#DIV/0!
2.03971763780617E-10
3.03101372020727E-06
2.03662871885124E-05
3.48092011122005E-05
8.6254096303956E-09
5.30119143304358E-07
5.59212050244953E-06
5.57194417426169E-05
6.55768359037289E-05
9.96038052928647E-05
#DIV/0!
1)/𝑃^∗
Problema 12.14.
Para uno de los sistemas binarios listados en la tabla anterior con la ecuacio
prepare un diagrama Pxy con una T = 60°C.

Datos:
T(k): 333.15
R(J/molK): 8.314

Sistema:
Acetona (1) Agua (2)
parametros:
b12: 631.05
b21: 1197.41
α: 0.5343

x1 X2 lnɣ1 lnɣ2 ɣ1
 0 1 0.634027 0 1.885187
0.1 0.9 0.499861 0.007002 1.648492
0.2 0.8 0.385245 0.027169 1.469975
0.3 0.7 0.288309 0.059423 1.334169
0.4 0.6 0.20747 0.102894 1.230561
0.5 0.5 0.1414 0.156892 1.151885
0.6 0.4 0.088987 0.220889 1.093066
0.7 0.3 0.049314 0.294499 1.05055
0.8 0.2 0.021633 0.377463 1.021868
0.9 0.1 0.005348 0.469635 1.005362
1 0 0 0.570977 1

Diagrama de P-XY

140

120

100

80
P (kpa)

60

40

20

0
0 0.1 0.2 0.3 0.4 0.5
X1 Y1
abla anterior con la ecuacion de NRTL

Evaluacion de parametros clave Compuesto

τ12: 0.22783158593854 1 acetona
τ21: 0.432307771680005 2 agua

G12: 0.885387022182703 psat1 (kpa): 115.7768736

G21 0.793753719812212 psat2 (kpa): 19.83234418

𝑦=(𝛾1𝑃1°𝑥1)/
𝑃

ɣ2 P y1 y2
 1 19.8323441846013 0 1
1.007026 37.0602411490121 0.514992 0.4850082174
1.027542 50.3406651376256 0.676149 0.3238505121
1.061225 61.072380187037 0.758768 0.2412317809
1.108373 70.177189734638 0.812062 0.1879383674
1.169869 78.281442885355 0.851809 0.1481911821
1.247185 85.8249280666657 0.884721 0.1152793276
1.342454 93.1277782995494 0.914234 0.0857660525
1.458579 100.432379527892 0.942395 0.0576050083
1.59941 107.929894989966 0.970611 0.0293894994
1.769996 115.776873600414 1 0

iagrama de P-XY

0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

X1 Y1
 A B C
14.7171 2975.95 -34.5228
16.5362 3985.44 -38.9974