TomSym Chemical Equilibrium Problem
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TomSym implementation of GAMS Example (WALL,SEQ=76)
A Sample Nonlinear system to solve Chemical Equilibrium models.
Wall, T W, Greening, D, and Woolsey, R E D, Solving Complex Chemical Equilibria Using a Geometric-Programming Based Technique. OR 34, 3 (1987).
toms ba so4 baoh oh hso4 h
r1 = {ba*so4 == 1};
r2 = {baoh/ba/oh == 4.8};
r3 = {hso4/so4/h == .98};
r4 = {h*oh == 1};
b1 = {ba + 1e-7*baoh == so4 + 1e-5*hso4};
b2 = {2*ba + 1e-7*baoh + 1e-2*h == 2*so4 + 1e-5*hso4 + 1e-2*oh};
x0 = {1 == ba; 1 == so4; 1 == baoh
1 == oh; 1 == hso4; 1 == h };
solution = ezsolve(ba,{r1,r2,r3,r4,b1,b2},x0);
Problem type appears to be: lpcon Time for symbolic processing: 0.13614 seconds Starting numeric solver ===== * * * =================================================================== * * * TOMLAB - TOMLAB Development license 999007. Valid to 2011-12-31 ===================================================================================== Problem: --- 1: Problem 1 f_k 1.000004657593424700 sum(|constr|) 0.000000000000846878 f(x_k) + sum(|constr|) 1.000004657594271600 f(x_0) 1.000000000000000000 Solver: snopt. EXIT=0. INFORM=1. SNOPT 7.2-5 NLP code Optimality conditions satisfied FuncEv 1 ConstrEv 4 ConJacEv 4 Iter 3 MinorIter 5 Elapsed time: 0.008000 sec.