| Name: | Seveneq1 - Chemical Equilibrium | ||
| Source: | Carnahan, B., Luther, H. A. and Wilkes, J. O., Applied Numerical Methods | ||
| Wiley, New York, 1969 | |||
| Reference/s | Shacham, M., pp. 891-923 in A. W. Westerberg and H. H. Chien (Eds), | ||
| Proc. of FOCAPD 2, CACHE Publications, Ann Arbor, Michigan, 1984. | |||
| Bullard, L. G. and Biegler, L. T., Computers Chem. Engng. 15(4), 239 (1991). | |||
| Model: | 7 implicit equations, indep. variables x1 to x7 | ||
| Lower difficulty level | |||
| Constraints: xi are nonnegative for I=1,2, 7 | |||
| Discontinuities: Undefined for x7=0 | |||
| Initial estimates: 1. (0.5,0,0,0.5,0,0.5,2); 2.(0.2, 0.2, 0.2, 0.2, 0.2, 0.5, 0.2); | |||
| 3. (0.22,0.075, 0.001, 0.58, 0.125, 0.435, 2.35) | |||
| Solved by | Shacham, M., POLYMATH 5.1, build 19, April 6, 2001 | ||
| Model Eqs. | Chemical Equilibrium |POLVER05_1 | ||
| f(x1) = 0.5*x1+x2+0.5*x3-x6/x7 # | |||
| f(x2) = x3+x4+2*x5-2/x7 # | |||
| f(x3) = x1+x2+x5-1/x7 # | |||
|
f(x4) = -28837*x1-139009*x2-78213*x3+18927*x4+8427*x5 +13492/x7-10690*x6/x7 # |
|||
| f(x5) = x1+x2+x3+x4+x5-1 # | |||
| f(x6) = 400*x1*x4^3-1.7837e5*x3*x5 # | |||
| f(x7) = x1*x3-2.6058*x2*x4 # | |||
| x1(0)=0.5 | |||
| x2(0)=0 | |||
| x3(0)=0 | |||
| x4(0)=.5 | |||
| x5(0)=0 | |||
| x6(0)=0.5 | |||
| x7(0)=2 | |||
| Variable/function values | Variable | Value | f(x) |
| x1 | 0.5 | 0 | |
| x2 | 0 | -0.5 | |
| x3 | 0 | 0 | |
| x4 | 0.50 | -881.5 | |
| x5 | 0 | 0 | |
| x6 | 0.50 | 25 | |
| x7 | 2.00 | 0 | |
| Solution | Variable | Value | f(x) |
| x1 | 0.3228708394765 | 0 | |
| x2 | 0.0092235435392 | 0 | |
| x3 | 0.0460170909606 | 0 | |
| x4 | 0.6181716750708 | 2.27E-12 | |
| x5 | 0.0037168509528 | -1.11E-16 | |
| x6 | 0.5767153959355 | -3.55E-15 | |
| x7 | 2.9778634507910 | -3.47E-18 | |
| Infeasible solution | Variable | Value | f(x) |
| x1 | 0.4569305530947 | 2.78E-17 | |
| x2 | -0.0004071984094 | 2.78E-17 | |
| x3 | -0.0021251991567 | -4.16E-17 | |
| x4 | 0.9151719085274 | 1.36E-12 | |
| x5 | -0.3695700640561 | 0 | |
| x6 | 2.6105450054500 | -2.84E-14 | |
| x7 | 11.5004273301600 | 1.08E-19 | |
| Additional information | Some methods converge to the infeasible solution from initial guess No.3 | ||