BENCENO (1) - E

Proceso Isobar

Compuesto
Benceno 6 ACH
Etil benceno CH3, 5 ACH, 1 ACCH3

Sub grupos k
ACH 1
AC 2
ACCH3 3
ACCH2 4
ACCH 5

Parametro de iteracion binaria (ajk), de tabl

Sub grupo
Grupo Principal
ACH
AC
j ACCH3
ACCH2
ACCH

PARTE COMBINATORIAL

ri xi
NSG NSG i 
ri   vki R k qi   vki Qk
NC

k k r x
j
j j

x1 x2 T (ºC) T (K) r1 r2 q1
1E-05 0.99999 163.1850806 436.33508059 0.8965 3.118 0.52
0.1 0.9 153.5318901 426.68189012 0.8965 3.118 0.52
0.2 0.8 144.8252673 417.97526726 0.8965 3.118 0.52
0.3 0.7 137.0185147 410.1685147 0.8965 3.118 0.52
0.4 0.6 129.982047 403.13204696 0.8965 3.118 0.52
0.5 0.5 123.6543667 396.80436668 0.8965 3.118 0.52
0.6 0.4 117.9358435 391.08584346 0.8965 3.118 0.52
0.7 0.3 112.8506974 386.00069736 0.8965 3.118 0.52
0.8 0.2 108.5130169 381.66301692 0.8965 3.118 0.52
0.9 0.1 105.273628 378.42362801 0.8965 3.118 0.52
0.99999 1E-05 104.0883347 377.23833468 0.8965 3.118 0.52

PARTE RESIDUAL

vmi
X mi  NSG

v
n
ni
Calculo del coeficiente de actividad
vmi
X mi  NSG

v
n
ni

x11 x21 x31 x41 x51 x12 x22

0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0
0.5 0.5 0 0 0 0 0

X mi Qm
 mi  NSG

X
n
ni Qn

Θ11 Θ21 Θ31 Θ41 Θ51 Θ12 Θ22

0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0
0.76923077 0.23076923077 0 0 0 0 0

 a 
 mn  exp   mn 
 T 
Ψ11 Ψ21 Ψ31 Ψ41 Ψ51 Ψ12 Ψ22
1 1 1.399953026 1.3999530262 1.3999530262 1 1
1 1 1.410649483 1.4106494826 1.4106494826 1 1
1 1 1.420795539 1.420795539 1.420795539 1 1
1 1 1.430324982 1.4303249823 1.4303249823 1 1
1 1 1.439288182 1.4392881817 1.4392881817 1 1
1 1 1.447670346 1.4476703456 1.4476703456 1 1
1 1 1.455522816 1.4555228155 1.4555228155 1 1
1 1 1.462738251 1.4627382513 1.4627382513 1 1
1 1 1.469074336 1.469074336 1.469074336 1 1
1 1 1.473919291 1.4739192911 1.4739192911 1 1
 1 1 1.475716904 1.4757169043 1.4757169043 1 1

Ψ14 Ψ24 Ψ34 Ψ44 Ψ54 Ψ15 Ψ25

0.68199471 0.6819947088 1 1 1 0.681994709 0.6819947088
0.67611487 0.67611487419 1 1 1 0.676114874 0.6761148742
0.670625 0.67062499579 1 1 1 0.670624996 0.6706249958
0.66554453 0.66554453088 1 1 1 0.665544531 0.6655445309
0.66083154 0.66083154234 1 1 1 0.660831542 0.6608315423
0.65648049 0.65648048992 1 1 1 0.65648049 0.6564804899
0.65245297 0.65245296697 1 1 1 0.652452967 0.652452967
0.64879291 0.64879290915 1 1 1 0.648792909 0.6487929091
0.64561058 0.64561058318 1 1 1 0.645610583 0.6456105832
0.64319691 0.64319690821 1 1 1 0.643196908 0.6431969082
0.64230568 0.64230567546 1 1 1 0.642305675 0.6423056755

  
      
ln  ki  Qk 1  ln   mi  mk  
 mi km

  m  m  
    ni  nm 
  n 

lnΓ11 lnΓ21 lnΓ31 lnΓ41 lnΓ51 lnΓ12 lnΓ22

-0.0686403 -0.0205920896 -0.260232858 -1.5627869537 -0.0935547877 -0.00737336 -0.002212007
-0.06831882 -0.0204956446 -0.263172687 -1.572913434 -0.0946116685 -0.00806604 -0.002419812
-0.06801447 -0.0204043424 -0.266005629 -1.5825217032 -0.0956301227 -0.00873678 -0.002621034
-0.06772922 -0.0203187648 -0.268705224 -1.591548175 -0.0966006383 -0.00937848 -0.002813545
-0.06746147 -0.0202384403 -0.271278295 -1.6000398515 -0.097525668 -0.00999209 -0.002997626
-0.0672116 -0.0201634803 -0.273713944 -1.6079821721 -0.0984012941 -0.01057444 -0.003172332
-0.06697801 -0.0200934032 -0.276021155 -1.6154233662 -0.0992307459 -0.01112725 -0.003338175
-0.06676381 -0.0200291416 -0.278162702 -1.6222613932 -0.1000006408 -0.01164124 -0.003492372
-0.06657606 -0.0199728188 -0.280060089 -1.6282663512 -0.1006827594 -0.01209723 -0.00362917
-0.06643274 -0.0199298207 -0.281521484 -1.63285823 -0.1012081367 -0.01244878 -0.003734633
-0.06637961 -0.0199138829 -0.282066012 -1.6345619631 -0.1014038967 -0.01257983 -0.00377395

CALCULO DEL COEFICIENTE DE ACTIVIDAD

x v j mj
X m Qm
m 
j
Xm 
 x v
n j
j nj  X nQ
n
X1 X2 X3 X4 X5 Θ1 Θ2
3.3333E-06 3.3333444E-06 0.333331111 0.3333311111 0.3333311111 2.02431E-06 6.072919E-07
0.03448276 0.03448275862 0.310344828 0.3103448276 0.3103448276 0.021853147 0.0065559441
0.07142857 0.07142857143 0.285714286 0.2857142857 0.2857142857 0.047483381 0.0142450142
0.11111111 0.11111111111 0.259259259 0.2592592593 0.2592592593 0.077962578 0.0233887734
0.15384615 0.15384615385 0.230769231 0.2307692308 0.2307692308 0.114810563 0.0344431688
0.2 0.2 0.2 0.2 0.2 0.16025641 0.0480769231
0.25 0.25 0.166666667 0.1666666667 0.1666666667 0.217706821 0.0653120464
0.30434783 0.30434782609 0.130434783 0.1304347826 0.1304347826 0.29264214 0.0877926421
0.36363636 0.36363636364 0.090909091 0.0909090909 0.0909090909 0.394477318 0.1183431953
0.42857143 0.42857142857 0.047619048 0.0476190476 0.0476190476 0.540865385 0.1622596154
0.4999925 0.49999250004 4.999975E-06 4.999975E-06 4.999975E-06 0.769201539 0.2307604618
   
  m  km  
ln  iR   vki  ln  k  ln  k ,i 
 
ln  k  Qk 1  ln    mi  mk    
  m  m    
   n nm   k
  n 

lnΓ1 lnΓ2 lnΓ3 lnΓ4 lnΓ5 LnγR1 LnγR2

0.21591311 -0.0022119955 -1.223E-13 -8.338663E-14 -4.39675E-14 0.302933502 -2.49655E-13
0.21080362 -0.0022872362 -1.54236E-05 -1.051612E-05 -5.544865E-06 0.297330846 -3.14846E-05
0.20509587 -0.0023170101 -7.82781E-05 -5.337144E-05 -2.81413E-05 0.29119768 -0.000159791
0.19853184 -0.0022917764 -0.000225598 -0.0001538168 -8.110342E-05 0.284288041 -0.000460518
0.19070336 -0.0022020916 -0.000520971 -0.0003552075 -0.0001872912 0.276201175 -0.00106347
0.18096874 -0.0020347972 -0.001077808 -0.0007348689 -0.0003874763 0.26630902 -0.002200153
0.16824761 -0.0017749617 -0.002109611 -0.001438371 -0.0007584138 0.253544061 -0.004306396
0.15061194 -0.0014046938 -0.004041695 -0.0027557011 -0.001453006 0.236000195 -0.008250402
0.12429146 -0.0009152549 -0.007786366 -0.0053088859 -0.0027992307 0.209925086 -0.015894483
0.08104993 -0.0003522093 -0.015458285 -0.0105397398 -0.0055573173 0.167060281 -0.031555342
1.1442E-05 -5.541128E-12 -0.031966763 -0.0217955201 -0.0114921833 0.086304935 -0.065254466

CONSTANTES

VP_A VP_B VP_C VP_D Tc (K)

Benceno (1) -6.98273 1.33213 -2.62863 -3.33399 562.2
E-Benceno (2) -7.48645 1.45488 -3.37538 -2.23048 617.2

Ec.de Wagner

1.5 3 6
Pvp VPAx−VPBx +VPCx +VPDx
Ln ( )
Pc
=
1−x Φ=1

P= 1.0325

x (1) x (2) Pvp1 Pvp2 y1

0.223879259 0.293041023 5.234018619 1.032222728 4.066016E-05
0.241049644 0.3086813187 4.1160689964 0.765992077 0.3346813806
0.256536344 0.3227879662 3.2757997229 0.576846413 0.5584953521
0.270422421 0.3354366256 2.642647488 0.441738533 0.7095144148
0.282938373 0.3468372538 2.1587252503 0.34355177 0.8120393649
0.294193585 0.3570894901 1.7863615161 0.271501482 0.8826057911
0.304365273 0.3663547578 1.4958115251 0.217730431 0.9302301039
0.313410357 0.374593815 1.270556986 0.177735962 0.9619633866
0.321125904 0.3816218132 1.1008291575 0.148706263 0.9822119587
0.32688789 0.386870337 0.9864723818 0.12974353 0.9941730553
0.328996203 0.3887907734 0.9471261188 0.123338927 0.9999888712

DATOS TEORICOS

x1 x2 y1 y2 T (K)
0 1 0 1 136.18
0.009 0.991 0.033 0.967 135.31
0.017 0.983 0.059 0.941 134.54
0.03 0.97 0.106 0.894 132.93
0.165 0.835 0.458 0.542 119.99
0.302 0.698 0.664 0.336 109.65
0.438 0.562 0.785 0.215 101.86
0.601 0.399 0.879 0.121 93.95
0.753 0.247 0.937 0.063 88.01
0.902 0.098 0.979 0.021 82.95
0.945 0.055 0.989 0.011 81.62
0.966 0.034 0.993 0.007 81.09
1 0 1 0 80.08
ENO (1) - ETIL BENCENO (2)
roceso Isobarico, P = 1.0325 Bar

ompuesto Grup principal Sub grupos

6 ACH ACH ACH, AC
CH3, 5 ACH, 1 ACCH3 ACCH3 ACCH3, ACCH2, ACCH

Rk Qk Vk1 Vk2
0.5313 0.4 1 0
0.3652 0.12 1 0
1.2663 0.968 0 1
1.0396 0.66 0 1
0.8121 0.348 0 1

acion binaria (ajk), de tablas:

k
ACH AC ACCH3 ACCH2 ACCH
Grupo Principal 3 3 4 4 4
3 0 0 167 167 167
3 0 0 167 167 167
4 -146.8 -146.8 0 0 0
4 -146.8 -146.8 0 0 0
4 -146.8 -146.8 0 0 0

z
Li   ri  qi    ri  1
2

ri xi qi xi i z  
i 
NC
NC i  NC ln iC  ln  qi ln i  Li  i x L
r x
j j
i
j
j j  qjxj
j Z= 10
xi 2 xi j

q2 F1 F2 q1 q2 L1 L2
1.976 2.875261E-06 0.999997125 2.6316E-06 0.99999737 1.986 3.592
1.976 0.03095809521 0.969041905 0.02840909 0.97159091 1.986 3.592
1.976 0.06706062759 0.932939372 0.0617284 0.9382716 1.986 3.592
1.976 0.1097061043 0.890293896 0.10135135 0.89864865 1.986 3.592
1.976 0.16085045304 0.839149547 0.14925373 0.85074627 1.986 3.592
1.976 0.22331548138 0.776684519 0.20833333 0.79166667 1.986 3.592
1.976 0.30132765671 0.698672343 0.28301887 0.71698113 1.986 3.592
1.976 0.40151636329 0.598483637 0.38043478 0.61956522 1.986 3.592
1.976 0.53490453461 0.465095465 0.51282051 0.48717949 1.986 3.592
1.976 0.72127117508 0.278728825 0.703125 0.296875 1.986 3.592
1.976 0.99996522116 3.477884E-05 0.999962 3.7999E-05 1.986 3.592
 x32 x42 x52
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333
0.33333333 0.33333333333 0.333333333

Θ32 Θ42 Θ52

0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336
0.48987854 0.33400809717 0.17611336

Ψ32 Ψ42 Ψ52 Ψ13 Ψ23 Ψ33 Ψ43

1.39995303 1.39995302617 1.399953026 0.68199471 0.68199471 1 1
1.41064948 1.41064948261 1.410649483 0.67611487 0.67611487 1 1
1.42079554 1.42079553902 1.420795539 0.670625 0.670625 1 1
1.43032498 1.43032498229 1.430324982 0.66554453 0.66554453 1 1
1.43928818 1.43928818174 1.439288182 0.66083154 0.66083154 1 1
1.44767035 1.44767034558 1.447670346 0.65648049 0.65648049 1 1
1.45552282 1.45552281555 1.455522816 0.65245297 0.65245297 1 1
1.46273825 1.46273825132 1.462738251 0.64879291 0.64879291 1 1
1.46907434 1.46907433604 1.469074336 0.64561058 0.64561058 1 1
1.47391929 1.47391929114 1.473919291 0.64319691 0.64319691 1 1
 1.4757169 1.47571690429 1.475716904 0.64230568 0.64230568 1 1

Ψ35 Ψ45 Ψ55

1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1
1 1 1

lnΓ32 lnΓ42 lnΓ52

0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0
0 0 0

X m Qm
m 
 X n Qn
n
Θ3 Θ4 Θ5
0.48987725 0.33400721819 0.176112897
0.47596154 0.32451923077 0.17111014
0.45963913 0.31339031339 0.165242165
0.44022869 0.30015592516 0.158264033
0.41676234 0.28415614237 0.149827784
0.38782051 0.26442307692 0.139423077
0.35123367 0.23947750363 0.126269956
0.30351171 0.20693979933 0.109113712
0.23865878 0.16272189349 0.085798817
0.14543269 0.09915865385 0.052283654
1.8615E-05 1.2691952E-05 6.69212E-06
 ln  k  ln  k ,i  ln  i  ln  iC  ln  1R

Lnγ1 Lnγ2 γ1 γ2
-0.2205326 -2.533581E-11 0.802091454 1
-0.1749067 -0.0027975578 0.839535308 0.99720635
-0.1276501 -0.0124453628 0.880161334 0.98763176
-0.0789999 -0.0314079959 0.924040048 0.96908011
-0.0294506 -0.0632604367 0.970978873 0.93869897
0.02007273 -0.1133511471 1.020275539 0.89283709
0.06781648 -0.1899927111 1.070168897 0.82696516
0.11042373
0.14111477
-0.306726486
-0.4869779868
1.116751166
1.151556807
0.73585184
0.61448056
B
0.14511952
0.08630493
-0.7745295537
-1.2590983675
1.156177753
1.090138699
0.46092057
0.28390989
1
0.9
0.8
Pc (bar) Vc (cm3/mol)
48.9 259 T 0.7
x=1−

Y2
36 374
Tc
0.6
0.5
sat
Φ=1 x i γi Pi =y i Φi P 0.4
Bar
0.3
y2 y1+y2 0.2
0.99972146 0.99976211831
0.66582755 1.000508933 0.1
0.44142322 0.99991856857
0.29022375
0.18740437
0.99973816163
0.9994437382
0
0.11738818 0.99999397143 0 0.1
0.06975515 0.99998525382
0.03800116 0.99996454913
0.01770017 0.99991212487
0.00579191 0.99996496443
3.3915E-07 0.99998921038
 i  NC
n
i
 Li  i
xi
x L
j
j j

LnγC1 Ln γC 2
-0.52346615 -2.5086E-11
-0.47223759 -0.00276607
-0.41884773 -0.01228557
-0.36328791 -0.03094748
-0.30565174 -0.06219697
-0.24623629 -0.11115099
-0.18572758 -0.18568632
-0.12557647 -0.29847608
-0.06881031 -0.4710835
-0.02194076 -0.74297421
-2.9353E-10 -1.1938439
Ψ53
1
1
1
1
1
1
1
1
1
1
1
 BENCENO(1)-ETIL BENCENO (2)
1
0.9
0.8
0.7
0.6
0.5
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
NO (2)

Column D

Column G

Column C

7 0.8 0.9 1
 BENCENO(1)-ETIL BENCENO (2)
1
0.9
0.8
0.7
Y2

0.6
0.5
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
X1
CENO (2)

Column D

Column G

Column C

0.7 0.8 0.9 1

 BENCENO(1)-ETIL BENCENO (2)
170 0 0
1 1
160
150
T (ºC)

140
130
120
110
100
90
80
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.
X2, Y2
CENO (2)

Colum
nF
Colum
nF
Colum
nC

.6 0.7 0.8 0.9 1