| Name: |
Twoeq10 - Correlation of liquid-liquid
equilibrium data |
| Source: |
Shacham, M., pp. 891-923 in
A. W. Westerberg and H. H. Chien (Eds), |
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Proc. of FOCAPD 2, CACHE Publications,
Ann Arbor, Michigan, 1984. |
| Reference/s |
Shacham, M., Computers
Chem. Engng. 9(2), 103 (1985). |
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| Model: |
2 implicit equations, indep.
variables t12 and t21 |
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Average difficulty level |
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Constraints:none |
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Discontinuities: none in the
region of interest |
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Initial estimates:1. t12=t21=0.1;
2. t12=t21=1; 3. t12=t21=0.10; 4. t12=t21=15; |
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4. Ca=0.2, T=560; 5. Ca=0.5,
T=560 |
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| Solved by |
Shacham, M., POLYMATH 5.1,
build 19, April 3, 2001 |
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| Model Eqs. |
Correlation of liquid-liquid
equilibrium data |POLVER05_1 |
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EXCEL
FILE |
f(t12) = 1/(x1*x2)-2*t21*c2/((x1+x2*c1)^3)-2*t12*c4/((x2+x1*c3)^3)
# |
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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) # |
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POLYMATH
FILE |
c1=exp(-alpha*t21) # |
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c2=exp(-2*alpha*t21) # |
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c3=exp(-alpha*t12) # |
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c4=exp(-2*alpha*t12) # |
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x2=1-x1 # |
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alpha=0.4 # |
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x1=0.5 # |
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t12(0)=1 |
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t21(0)=10 |
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| Variable/function values |
Variable |
Value |
f(x) |
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t12 |
0.1 |
3.608155692 |
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t21 |
0.1 |
0 |
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alpha |
0.40 |
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c1 |
0.96 |
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c2 |
0.92 |
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c3 |
0.9608 |
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x1 |
0.5000 |
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c4 |
0.92 |
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x2 |
0.50 |
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| Solution 1 |
Variable |
Value |
f(x) |
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t12 |
1.6043843214350 |
2.2204E-16 |
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t21 |
1.6043843214350 |
0.0000E+00 |
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alpha |
0.4 |
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c1 |
0.5263685066391 |
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c2 |
0.2770638047815 |
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c3 |
0.5263685066391 |
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x1 |
0.5 |
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c4 |
2.770638048E-01 |
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x2 |
0.5 |
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| Solution 2 |
Variable |
Value |
f(x) |
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t12 |
2.9353711137400 |
8.8818E-16 |
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t21 |
2.9353711137400 |
0.0000E+00 |
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alpha |
0.4 |
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c1 |
0.3090820678822 |
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c2 |
0.0955317246863 |
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c3 |
0.3090820678822 |
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x1 |
0.5 |
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c4 |
9.553172469E-02 |
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x2 |
0.5 |
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| Additional information |
Convergence to the 1st solution
from the 1st and 2nd initial guesses |
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convergence to the 2nd solution
from the 3rd initial guess. Most |
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methods won't converge from
the 4th initial guess. |