CALCULOS EN UNIFAC

Sistema: acetona(1)/metanol(2)/agua(3) CH3-CO-CH3/CH3OH/H2O

DATOS

CUADRO No 1. Parámetros de las sustancias Parámetros de interacción bina

NG Vol. F R Área F R CH3 (1)
vk1 vk2 vk3
k Rk Qk 1
1 (1)CH3 (1) 0.9011 0.848 1 0 0 0
2 CH3CO(9) 1.6724 1.488 1 0 0 26.76
3 CH3OH (6) 1.4311 1.432 0 1 0 16.51
4 H2O (7) 0.92 1.4 0 0 1 300

NG
Gk1 Gk2 Gk3 q1 q2 q3
k
1 CH3 0.848 0 0 0.848 0 0
2 CH3CO 1.488 0 0 1.488 0 0
3 CH3OH 0 1.432 0 0 1.432 0
4 H2O 0 0 1.4 0 0 1.4
2.336 1.432 1.4

i A B C
1 Acetona 14.3916 2795.82 230.00
2 Metanol 16.5938 3644.30 239.76
3 Agua 16.2620 3799.89 226.35

i xi t(°C) Psati P(KPa) yi

1 0.3 70 159.5249 125.54523 0.5085
2 0.4 125.07146 0.4089
3 0.3 31.177457 0.0826
1
n 1 2 3
L1 1.379 1.379 1.379
L2 0.846 0.846 0.846
L3 0.827 0.827 0.827
J1 1.458 1.458 1.458
J2 0.811 0.811 0.811
J3 0.793 0.793 0.793
θ1 0.254 0.254 0.254
θ2 0.446 0.446 0.446
θ3 0.573 0.573 0.573
θ4 0.420 0.420 0.420
t 50.00 70.000 69.981
T 323.00 343.00 342.98
s11 2.218 2.224 2.224
s21 1.682 1.699 1.699
s31 1.161 1.195 1.195
s41 0.359 0.393 0.393
s12 1.361 1.365 1.365
s22 1.332 1.338 1.338
s32 1.432 1.432 1.432
s42 2.508 2.427 2.427
s13 0.553 0.584 0.584
s23 2.564 2.475 2.475
s33 0.571 0.602 0.602
s43 1.400 1.400 1.400
η1 1.375 1.388 1.388
η2 1.806 1.787 1.787 𝜼_𝒌=∑1_𝒊▒ 〖𝒔 _(𝒌,𝒊) 𝒙_𝒊 〗
η3 1.092 1.112 1.112
η4 1.531 1.509 1.509
Ganma 1 1.3339 1.3361 1.3361
Ganma 2 1.0262 1.0231 1.0231
Ganma 3 1.1086 1.1250 1.1250
Psat1 159.52 159.40 159.40
Psat2 125.07 124.97 124.97
Psat3 31.18 31.15 31.15
t 70.00000 69.98121 69.98121
CH3-CO-CH3/CH3OH/H2O

Parámetros de interacción binaria

CH3CO(9) CH3OH(6) H2O (7)
2 3 4
476.4 697.2 1318
0 108.7 472.5
23.39 0 -181
-195.4 289.6 0

r1 r2 r3

0.9011 0 0
1.6724 0 0
0 1.4311 0
0 0 1.4
2.5735 1.4311 1.4

𝒒_𝒊=∑1_𝒌▒𝑮_(𝒌,𝒊)
𝑟_𝑖=∑1_𝑘▒ 〖
𝜈 _(𝑘,𝑖) 𝑅_𝑘 〗

𝑳_𝒊=𝒒_𝒊/(∑1_𝒋▒ 〖𝒒 _𝒋 𝒙_𝒋 〗 )

𝒋_𝒊=𝒓_𝒊/(∑1_𝒋▒ 〖𝒓 _𝒋 𝒙_𝒋 〗 )

𝜽_𝒌=∑1_𝒊▒ 〖𝑮 _(𝒌,𝒊) 𝒙_𝒊 〗

 𝜞_(𝒌,𝒍)=𝒆𝒙𝒑((−𝜶_(𝒌,𝒍))/𝑻)

𝒔_(𝒌,𝒊)=∑1_𝒍▒ 〖𝑮 _(𝒍,𝒊) 𝜞_(𝒍,𝒌) 〗

〖𝑙𝑛𝛾 〗_1^𝑅=𝑞_1 (1− 〖 𝑙𝑛𝐿〗_1 )−[(𝜃_1 𝑠_1,1/𝜂_1 +𝜃_2 𝑠_2,1/𝜂_2 +𝜃_3 𝑠_3,1/𝜂_3 +𝜃_4 𝑠_4,1/𝜂_4 )−(𝐺_1,1
+𝐺_2,1 𝑙𝑛 𝑠_2,1/𝜂_2 +𝐺_3,1 𝑙𝑛 𝑠_3,1/𝜂_3 +𝐺_4,1 𝑙𝑛 𝑠_4,1/𝜂_4 )]

〖
𝑙𝑛𝛾 〗_2^𝑅=𝑞_2 (1− 〖
𝑙𝑛𝐿〗_2 )−[(𝜃_1 𝑠_1,2/𝜂_1 +𝜃_2 𝑠_2,2/𝜂_2 +𝜃_3 𝑠_3,2/𝜂_3 +𝜃_4 𝑠_4,2/𝜂_4 )−(𝐺_1,
_𝒊▒ 〖𝒔 _(𝒌,𝒊) 𝒙_𝒊 〗𝑙𝑛 𝑠_2,2/𝜂_2 +𝐺_3,2 𝑙𝑛 𝑠_3,2/𝜂_3 +𝐺_4,2 𝑙𝑛 𝑠_4,2/𝜂_4 )]

〖𝑙𝑛𝛾 〗_3^𝑅=𝑞_3 (1− 〖 𝑙𝑛𝐿〗_3 )−[(𝜃_1 𝑠_1,3/𝜂_1 +𝜃_2 𝑠_2,3/𝜂_2 +𝜃_3 𝑠_3,3/𝜂_3 +𝜃_4 𝑠_4,3/𝜂_4 )−(𝐺_1
𝑠_2,3/𝜂_2 +𝐺_3,3 𝑙𝑛 𝑠_3,3/𝜂_3 +𝐺_4,3 𝑙𝑛 𝑠_4,3/𝜂_4 )]

〖 lnγ 〗 _i^C=1−J_i+lnJ_i−5q_i (1−J_i/L_i +ln J_i/L_i )

𝑟_𝑖=∑1_𝑘▒ 〖
𝜈 _(𝑘,𝑖) 𝑅_𝑘 〗
𝜂_3 +𝜃_4 𝑠_4,1/𝜂_4 )−(𝐺_1,1 𝑙𝑛 𝑠_1,1/𝜂_1

/𝜂_3 +𝜃_4 𝑠_4,2/𝜂_4 )−(𝐺_1,2 𝑙𝑛 𝑠_1,2/𝜂_1 +𝐺_2,2

/𝜂_3 +𝜃_4 𝑠_4,3/𝜂_4 )−(𝐺_1,3 𝑙𝑛 𝑠_1,3/𝜂_1 +𝐺_2,3 𝑙𝑛