UNIFAC

HURTADO VELIZ ,Antonio Kevin

ACETATO DE ETILO(1)+ETANOL(2) T=60C
1. GRUPOS FUNCIONALES

Vk1 (acetato de
SUB GRUPO K Rk Qk Vk2 (etanol)
etilo)
CH3 1 0.9011 0.848 2 1
CH2 2 0.6744 0.54 1 1
COO 3 1.38 1.2 1 0
OH 4 1 1.2 0 1

2. PARAMETROS DE INTERACCION BANARI

SUB GRUPO CH3 CH2 OH COO

GRUPO PRINC 1 1 5 41
CH3 1 0 0 986.5 387.1
CH2 1 0 0 986.5 387.1
OH 5 156.4 156.4 0 190.3
COO 41 529 529 88.63 0

PARTE COMBINATORIAL
X1 X2 r1 r2 q1 q2 F1
0.05 0.95 3.8566 2.5755 3.436 2.588 2.449225
0.1 0.9 3.8566 2.5755 3.436 2.588 2.32795
0.15 0.85 3.8566 2.5755 3.436 2.588 2.211675
0.2 0.8 3.8566 2.5755 3.436 2.588 2.1004
0.25 0.75 3.8566 2.5755 3.436 2.588 1.994125
0.3 0.7 3.8566 2.5755 3.436 2.588 1.89285
0.35 0.65 3.8566 2.5755 3.436 2.588 1.796575
0.4 0.6 3.8566 2.5755 3.436 2.588 1.7053
0.45 0.55 3.8566 2.5755 3.436 2.588 1.619025
0.5 0.5 3.8566 2.5755 3.436 2.588 1.53775
0.55 0.45 3.8566 2.5755 3.436 2.588 1.461475
0.6 0.4 3.8566 2.5755 3.436 2.588 1.3902
0.65 0.35 3.8566 2.5755 3.436 2.588 1.323925
0.7 0.3 3.8566 2.5755 3.436 2.588 1.26265
0.75 0.25 3.8566 2.5755 3.436 2.588 1.206375
0.8 0.2 3.8566 2.5755 3.436 2.588 1.1551
0.85 0.15 3.8566 2.5755 3.436 2.588 1.108825
0.9 0.1 3.8566 2.5755 3.436 2.588 1.06755
0.95 0.05 3.8566 2.5755 3.436 2.588 1.031275
 CALCULO DEL COEFICIENTE DE ACTIVIDAD PARA EL GRUPO k EN EL COMPONENTE i PURO
X Y
X11 0.5 X12 0.33333333 Y11 1 Y12
X21 0.25 X22 0.33333333 Y21 1 Y22
X31 0.25 X32 0 Y31 0.62534099 Y32
X41 0 X42 0.33333333 Y41 0.20435976 Y42
Q CALCULOS PREVIOS PARA COEFICIENTE DE AC
Q11 0.49359721 Q12 0.32766615
Q21 0.15715949 Q22 0.20865533
Q31 0.34924331 Q32 0 r11 r12
Q41 0 Q42 0.46367852 0.8691528469 0.63107871
Producto 0.859 Producto 0.86266667 0.8691528469 0.63107871
0.3829267761 0.3831287
0.4008743521 0.63148219

Xm
X1 X2 Xm1 Xm2 Xm3 Xm4
0.05 0.95 0.3442623 0.32786885 0.05 0.31147541 3.05
0.1 0.9 0.35483871 0.32258065 0.1 0.29032258 3.1
0.15 0.85 0.36507937 0.31746032 0.15 0.26984127 3.15
0.2 0.8 0.375 0.3125 0.2 0.25 3.2
0.25 0.75 0.38461538 0.30769231 0.25 0.23076923 3.25
0.3 0.7 0.39393939 0.3030303 0.3 0.21212121 3.3
0.35 0.65 0.40298507 0.29850746 0.35 0.19402985 3.35
0.4 0.6 0.41176471 0.29411765 0.4 0.17647059 3.4
0.45 0.55 0.42028986 0.28985507 0.45 0.15942029 3.45
0.5 0.5 0.42857143 0.28571429 0.5 0.14285714 3.5
0.55 0.45 0.43661972 0.28169014 0.55 0.12676056 3.55
0.6 0.4 0.44444444 0.27777778 0.6 0.11111111 3.6
0.65 0.35 0.45205479 0.2739726 0.65 0.09589041 3.65
0.7 0.3 0.45945946 0.27027027 0.7 0.08108108 3.7
0.75 0.25 0.46666667 0.26666667 0.75 0.06666667 3.75
0.8 0.2 0.47368421 0.26315789 0.8 0.05263158 3.8
0.85 0.15 0.48051948 0.25974026 0.85 0.03896104 3.85
0.9 0.1 0.48717949 0.25641026 0.9 0.02564103 3.9
0.95 0.05 0.49367089 0.25316456 0.95 0.01265823 3.95

DETERMINCAION DEL COEFICIENTE DE ACTIVIDAD

X1 X2 lngC1 lngC2 lngR1 lngR2 g1
0.05 0.95 81.2915158 0.09108374 0.47223708 0.01335466 38.38886805
0.1 0.9 38.5497789 0.24127417 0.38324434 0.04696519 14.77398457
0.15 0.85 24.2150918 0.44844645 0.32354524 0.09368369 7.834677672
 0.2 0.8 17.0242478 0.71208938 0.28540411 0.14869788 4.858790292
0.25 0.75 12.7053818 1.03346601 0.26331509 0.20869474 3.345518755
0.3 0.7 9.82861518 1.41589304 0.25327005 0.27135813 2.489293858
0.35 0.65 7.77870556 1.86520191 0.25229786 0.33505405 1.962550765
0.4 0.6 6.24686084 2.39048231 0.25816402 0.39862627 1.612714708
0.45 0.55 5.0609155 3.00527979 0.26916855 0.46125949 1.362239288
0.5 0.5 4.11723492 3.72955539 0.28400647 0.52238519 1.169321355
0.55 0.45 3.34968933 4.59298757 0.30166911 0.58161546 1.010497797
0.6 0.4 2.71410519 5.64077542 0.32137289 0.63869555 0.872239827
0.65 0.35 2.17987433 6.94442113 0.34250711 0.69346935 0.746622458
0.7 0.3 1.72514899 8.62326125 0.36459497 0.74585382 0.628980645
0.75 0.25 1.33395264 10.8917098 0.38726411 0.79582002 0.516591981
0.8 0.2 0.99437003 14.1769869 0.41022422 0.84337878 0.40791467
0.85 0.15 0.69737248 19.47106 0.43324963 0.88856986 0.30213637
0.9 0.1 0.43603099 29.7330595 0.45616586 0.93145373 0.198902449
0.95 0.05 0.20497351 59.6641729 0.47883909 0.9721053 0.098149329

DATOS EXPERIMENTALES

P (kPa) P(mmHg) X1 Y1
49.996 375.001875 0.0435 0.1151 0 0
48.196 361.500728 0.024 0.0607 1 1
51.862 388.998065 0.0753 0.1509
54.795 410.997435 0.106 0.227
56.195 421.498327 0.1441 0.274
59.262 444.502783 0.1936 0.32
60.528 453.99859 0.2459 0.3715
62.128 465.99961 0.313 0.412
63.061 472.997705 0.38 0.4706
63.195 474.00279 0.414 0.5135
63.928 479.500758 0.4771 0.5375
64.128 481.000885 0.4989 0.5422
64.661 484.998725 0.5563 0.5756
64.595 484.503683 0.6721 0.6743
63.795 478.503173 0.7714 0.7111
63.728 478.00063 0.7714 0.7199
61.862 464.00444 0.8681 0.7977
59.262 444.502783 0.9405 0.89
59.195 444.00024 0.9495 0.8893

REFERENCIA: [Link]
van Winkle M.: Vapor-Liquid Equilibria for Binary Systems of Methanol, Ethyl Alcohol, 1-Propanol, and 2-Propanol with Ethyl A
 CONSTANTES DE ANTONIE
ACETATO DE ETILO (1)
A B C
7.09808 1238.71 217
ETANOL (2)
A B C
8.04494 1554.3 222.65

T (k) 333.15

RTE COMBINATORIAL
F2 q1 q2 I1 I2 lngC1 lngC2
1.09533 2.4611 1.0743 -0.7536 -1.638 81.291515808 0.09108374
1.19566 2.3392 1.1536 -0.7536 -1.638 38.54977889 0.24127417
1.30099 2.2223 1.2379 -0.7536 -1.638 24.215091747 0.44844645
1.41132 2.1104 1.3272 -0.7536 -1.638 17.024247805 0.71208938
1.52665 2.0035 1.4215 -0.7536 -1.638 12.70538181 1.03346601
1.64698 1.9016 1.5208 -0.7536 -1.638 9.8286151792 1.41589304
1.77231 1.8047 1.6251 -0.7536 -1.638 7.7787055563 1.86520191
1.90264 1.7128 1.7344 -0.7536 -1.638 6.2468608433 2.39048231
2.03797 1.6259 1.8487 -0.7536 -1.638 5.0609155041 3.00527979
2.1783 1.544 1.968 -0.7536 -1.638 4.1172349178 3.72955539
2.32363 1.4671 2.0923 -0.7536 -1.638 3.3496893253 4.59298757
2.47396 1.3952 2.2216 -0.7536 -1.638 2.7141051852 5.64077542
2.62929 1.3283 2.3559 -0.7536 -1.638 2.1798743332 6.94442113
2.78962 1.2664 2.4952 -0.7536 -1.638 1.7251489927 8.62326125
2.95495 1.2095 2.6395 -0.7536 -1.638 1.3339526367 10.8917098
3.12528 1.1576 2.7888 -0.7536 -1.638 0.9943700297 14.1769869
3.30061 1.1107 2.9431 -0.7536 -1.638 0.6973724834 19.47106
3.48094 1.0688 3.1024 -0.7536 -1.638 0.436030985 29.7330595
3.66627 1.0319 3.2667 -0.7536 -1.638 0.2049735108 59.6641729
 Y
1 Y13 0.051760466 Y14 0.3128789
1 Y23 0.051760466 Y24 0.3128789
0.62534099 Y33 1 Y34 0.56483921
0.20435976 Y43 0.766411291 Y44 1
ARA COEFICIENTE DE ACTIVIDAD PARA EL GRUPO k EN EL COMPONENTE i PURO

r11 r21 r31 r41

0.29196943 0.18592393 0.695599336 1.27452316
r12 r22 r32 r42
0.32286604 0.20559866 1.215833357 0.66208861

CALCULO DEL COEFICIENTE DE ACTIVIDAD PARA EL GRUPO k EN LA MEZCLA

Qm rk
Qm1 Qm2 Qm3 Qm4 r1 r2 r3
0.323382 0.19612116 0.066463282 0.41403356 0.9027541 0.3506912998 0.22331757 1.012999019
0.31892779 0.18462801 0.127188184 0.36925602 0.94348387 0.3773527225 0.24029537 0.853705645
0.31435755 0.17407001 0.182773516 0.32879892 0.9848254 0.4028458328 0.25652919 0.726786504
0.30971512 0.16435354 0.233747261 0.29218408 1.02675 0.4271910667 0.27203205 0.624452041
0.30503597 0.15539568 0.28057554 0.25899281 1.06923077 0.4504211541 0.28682479 0.541110105
0.30034874 0.14712293 0.323670445 0.22885789 1.11224242 0.472575032 0.30093221 0.472649886
0.29567643 0.13947001 0.36339687 0.20145669 1.15576119 0.4936947662 0.3143811 0.415989347
0.29103746 0.1323789 0.400078447 0.1765052 1.19976471 0.5138238956 0.32719918 0.368779168
0.28644644 0.12579788 0.434002702 0.15375297 1.24423188 0.5330064672 0.3394145 0.329203239
0.28191489 0.11968085 0.465425532 0.13297872 1.28914286 0.5512864212 0.35105503 0.295840716
0.27745177 0.11398657 0.494575083 0.11398657 1.33447887 0.5687071634 0.36214843 0.267568467
0.27306392 0.10867815 0.521655128 0.0966028 1.38022222 0.5853112503 0.37272179 0.243490718
0.26875648 0.10372248 0.546847989 0.08067304 1.42635616 0.6011401474 0.38280151 0.222887425
0.26453318 0.09908984 0.570317087 0.06605989 1.47286486 0.6162340442 0.39241319 0.205175805
0.26039656 0.09475347 0.59220916 0.05264081 1.51973333 0.6306317146 0.40158152 0.189881283
0.25634825 0.09068924 0.612656187 0.04030633 1.56694737 0.6443704148 0.41033022 0.176615289
0.25238907 0.08687538 0.631777084 0.02895846 1.61449351 0.6574858151 0.418682 0.165058108
0.24851925 0.0832922 0.649679171 0.01850938 1.66235897 0.6700119603 0.42665856 0.154945499
0.24473848 0.07992185 0.666459462 0.00888021 1.71053165 0.6819812536 0.43428052 0.146058188

FICIENTE DE ACTIVIDAD TOTAL

g2 Pvp1 Pvp2 p y1 y2
0.00121639 422.865977 351.4899684 812.073481 0.99949983 0.0005001668
0.01133149 422.865977 351.4899684 628.326155 0.99429498 0.0057050206
0.04201212 422.865977 351.4899684 509.504606 0.97536467 0.0246353266
 0.10588618 422.865977 351.4899684 440.697765 0.93243818 0.067561823
0.21567892 422.865977 351.4899684 410.533247 0.86150517 0.1384948311
0.38421409 422.865977 351.4899684 410.324482 0.7696136 0.2303863953
0.62494345 422.865977 351.4899684 433.243462 0.67043962 0.3295603818
0.95290905 422.865977 351.4899684 473.747654 0.57580205 0.4241979471
1.38621382 422.865977 351.4899684 527.20223 0.49169005 0.5083099497
1.9482645 422.865977 351.4899684 589.630822 0.41930153 0.5806984658
2.67135258 422.865977 351.4899684 657.546961 0.35741603 0.6425839676
3.60273816 422.865977 351.4899684 727.834857 0.30405844 0.6959415645
4.81574321 422.865977 351.4899684 797.658702 0.25727645 0.7427235457
6.43169234 422.865977 351.4899684 864.384762 0.21539269 0.7846073085
8.66784071 422.865977 351.4899684 925.501644 0.17702495 0.8229750531
11.9565699 422.865977 351.4899684 978.517465 0.14102414 0.8589758556
17.3013971 422.865977 351.4899684 1020.78884 0.10638705 0.8936129506
27.6949692 422.865977 351.4899684 1049.14855 0.072152 0.9278479961
57.9998587 422.865977 351.4899684 1058.74724 0.03724101 0.9627589947

l%3BEthyl%[Link]
2-Propanol with Ethyl Acetate and 1-Propanol-Water. [Link]. [Link] Series 3 (1958) 72-81
 suma y producto de Q Y
r4 1 2 3 4 lngR1 lngR2
0.62989909 0.64567717 0.64567717 0.410673 0.6141162 0.47223708 0.01335466
0.61987041 0.65855285 0.65855285 0.43625445 0.59864888 0.38324434 0.04696519
0.62486197 0.6699166 0.6699166 0.46004996 0.58485525 0.32354524 0.09368369
0.64002807 0.67995107 0.67995107 0.48221845 0.57253978 0.28540411 0.14869788
0.6620021 0.68881475 0.68881475 0.50290271 0.56153222 0.26331509 0.20869474
0.68840419 0.6966454 0.6966454 0.52223106 0.55168409 0.25327005 0.27135813
0.71753149 0.70356304 0.70356304 0.54031893 0.54286563 0.25229786 0.33505405
0.7481565 0.70967237 0.70967237 0.55727025 0.53496324 0.25816402 0.39862627
0.77939183 0.71506492 0.71506492 0.57317867 0.52787727 0.26916855 0.46125949
0.81059704 0.7198209 0.7198209 0.58812871 0.52152015 0.28400647 0.52238519
0.84131317 0.72401068 0.72401068 0.60219671 0.51581477 0.30166911 0.58161546
0.87121582 0.72769613 0.72769613 0.61545175 0.51069311 0.32137289 0.63869555
0.900081 0.73093175 0.73093175 0.62795641 0.50609504 0.34250711 0.69346935
0.92775989 0.73376565 0.73376565 0.63976743 0.50196732 0.36459497 0.74585382
0.95416009 0.73624035 0.73624035 0.6509364 0.49826272 0.38726411 0.79582002
0.97923145 0.7383935 0.7383935 0.66151023 0.49493927 0.41022422 0.84337878
1.00295534 0.7402585 0.7402585 0.67153166 0.49195962 0.43324963 0.88856986
1.02533652 0.74186504 0.74186504 0.68103968 0.48929045 0.45616586 0.93145373
1.04639683 0.74323951 0.74323951 0.69006992 0.48690201 0.47883909 0.9721053
 UNIFAC
1

0.9

0.8
Y1

0.7

0.6

EXPERIMENTAL
0.5 TEORICO
DIAGONAL

0.4

0.3

0.2

0.1

0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

X1
 UNIFAC
1200

1000

800

X TEORICO
Y TEORICO
600
X EXPERIMENTAL
P

Y EXPERIMENTAL

400

200

0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

X1-Y1