Twoeq10

Name: Twoeq10 - Correlation of liquid-liquid equilibrium data
Source: Shacham, M., pp. 891-923 in A. W. Westerberg and H. H. Chien (Eds),
  Proc. of FOCAPD 2, CACHE Publications, Ann Arbor, Michigan, 1984.
Reference/s Shacham, M., Computers Chem. Engng. 9(2), 103 (1985).
       
Model: 2 implicit equations, indep. variables t12 and t21
  Average difficulty level
  Constraints:none
  Discontinuities: none in the region of interest
  Initial estimates:1. t12=t21=0.1; 2. t12=t21=1; 3. t12=t21=0.10; 4. t12=t21=15;
  4. Ca=0.2, T=560; 5. Ca=0.5, T=560
       
Solved by Shacham, M., POLYMATH 5.1, build 19, April 3, 2001
       
Model Eqs. Correlation of liquid-liquid equilibrium data |POLVER05_1

EXCEL FILE 

f(t12) = 1/(x1*x2)-2*t21*c2/((x1+x2*c1)^3)-2*t12*c4/((x2+x1*c3)^3) #

TEXT FILE 

f(t21) = (x1-x2)/((x1*x2)^2)+6*t21*c2*(1-c1)/((x1+x2*c1)^4) +6*t12*c4*(c3-1)/((x2+x1*c3)^4) #

POLYMATH FILE 

c1=exp(-alpha*t21) #
  c2=exp(-2*alpha*t21) #
  c3=exp(-alpha*t12) #
  c4=exp(-2*alpha*t12) #
  x2=1-x1 #
  alpha=0.4 #
  x1=0.5 #
  t12(0)=1
  t21(0)=10
       
Variable/function values Variable Value f(x)
  t12 0.1 3.608155692
  t21 0.1 0
  alpha 0.40  
  c1 0.96  
  c2 0.92  
  c3 0.9608  
  x1 0.5000  
  c4 0.92  
  x2 0.50  
       
Solution 1 Variable Value f(x)
  t12 1.6043843214350 2.2204E-16
  t21 1.6043843214350 0.0000E+00
  alpha 0.4  
  c1 0.5263685066391  
  c2 0.2770638047815  
  c3 0.5263685066391  
  x1 0.5  
  c4 2.770638048E-01  
  x2 0.5  
       
Solution 2 Variable Value f(x)
  t12 2.9353711137400 8.8818E-16
  t21 2.9353711137400 0.0000E+00
  alpha 0.4  
  c1 0.3090820678822  
  c2 0.0955317246863  
  c3 0.3090820678822  
  x1 0.5  
  c4 9.553172469E-02  
  x2 0.5  
       
Additional information Convergence to the 1st solution from the 1st and 2nd initial guesses
  convergence to the 2nd solution from the 3rd initial guess. Most
  methods won't converge from the 4th initial guess.
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