Twoeq4a

Name: Twoeq4a - Wilson coeff. from azeotropic data (ethyl alcohol - n hexane) - 1st form
Source: Cutlip, M. B. and Shacham, M, Problem Solving in Chemical
  Engineering with Numerical Methods (2nd Ed.), Prentice Hall Inc.,
Reference/s      
Model: 2 implicit equations, indep. variables G12 and G21
  Average difficulty level
  Constraints: G12>=0, G21>=0
  Discontinuities: Undefined for G12<0 or G21<0
  Initial estimates: 1. G12=0.1, G21=0.1; 2.G12=0.5, G21=0.5; 3. G12=0.8, G21=0.8
       
Solved by Shacham, M., POLYMATH 5.1, build 19, April 2, 2001
       
Model Eqs. Wilson coeff. from azeotropic data (ethyl alcohol - n hexane) - 1st form |POLVER05_1

EXCEL FILE 

f(G21) = ln(gamma2)+ln(t2)+x1*(G12*t2-G21*t1)/(t1*t2) #

TEXT FILE 

f(G12) = ln(gamma1)+ln(t1)-x2*(G12*t2-G21*t1)/(t1*t2) #

POLYMATH FILE 

t=58.7 #
  pw1=21 #
  x1=(pw1/46.07)/(pw1/46.07+(100-pw1)/86.18) #
  P2 = 10^(6.87776-1171.53/(224.366+t)) #
  P1 = 10^(8.04494-1554.3/(222.65+t)) #
  gamma2=760/P2 #
  gamma1=760/P1 #
  x2=1-x1 #
  t1=x1+x2*G12 #
  t2=x2+x1*G21 #
  g2calc=exp(-ln(t2)-x1*(G12*t2-G21*t1)/(t1*t2)) #
  g1calc=exp(-ln(t1)+x2*(G12*t2-G21*t1) /(t1*t2)) #
  G21(0)=0.5
  G12(0)=0.5
       
Variable/function values Variable Value f(x)
  G21 0.5 1.9504E-01
  G12 0.5 3.2233E-01
  t 58.7  
  pw1 21  
  x1 0.3321  
  P2 548.3315  
  P1 331.5158  
  gamma2 1.3860  
  gamma1 2.2925  
  x2 0.6679  
  t1 0.6661  
  t2 0.8339  
 

g2calc
1.1404  
 

g1calc
1.6608  
       
Solution Variable Value f(x)
  G21 0.3017535930592 -1.8874E-15
  G12 0.0785888476379 1.1935E-15
  t 58.7  
  pw1 21  
  x1 0.3321117719491  
  P2 548.3315489669  
  P1 331.5158092912  
  gamma2 1.3860227474270  
  gamma1 2.2925000217180  
  x2 0.6678882280509  
  t1 0.3846003381426  
  t2 0.7681041485338  
  g2calc 1.3860227916690  
  g1calc 2.2924999769100  
       
Additional Information If started farther from the solution (see 3rd initial estimate)
  most methods yield negative G12 or G21 values leading to an execution error.
  A constrained method which keeps G12 and G21 positive throughout the
  iterations should be used.