Chemical equilibrium problem
nco
SNOPT
AMPL
short
= 0, default 0;
param c {PAIRS};
param E {PAIRS,I} integer;
param xlb >= 0, default 0;
var x {PAIRS} >= xlb, default 0.1;
minimize energy:
sum {(j,k) in PAIRS} x[j,k] * (c[j,k] +
log(x[j,k] / sum {m in J: (m,k) in PAIRS} x[m,k])) ;
s.t. h {i in I}:
sum {(j,k) in PAIRS} E[j,k,i] * x[j,k] - b[i] = 0;
]]>
data;
param xlb := 1.5e-6;
set PAIRS: 1 2 3 4 5 6 7 :=
1 + + + + - + -
2 + + + + - + -
3 + + + + - - -
4 + + + - - - -
5 - + + - - - -
6 - + + - - - -
7 - + + - - - -
8 - + + - - - -
9 - + + - - - -
10 - + + - - - -
11 - + + - - - -
12 - + + - - - -
13 - + + - - - -
14 - - + - - - -
15 - - + - - - -
16 - - + - - - -
17 - - + - - - -
18 - - + - - - - ;
param b :=
1 0.6529581
2 0.281941
3 3.705233
4 47.00022
5 47.02972
6 0.08005
7 0.08813
8 0.04829
9 0.0155
10 0.0211275
11 0.0022725;
param c: 1 2 3 4 5 6 7 :=
1 0 -10.94 10.45 -15.639 . 0 .
2 -7.69 0 0 0 . 11.959 .
3 -11.52 0 -0.5 21.81 . . .
4 -36.60 0 0 . . . .
5 . 0 0 . . . .
6 . 0 0 . . . .
7 . 0 2.2435 . . . .
8 . 2.5966 0 . . . .
9 . -39.39 -39.39 . . . .
10 . -21.35 -21.49 . . . .
11 . -32.84 -32.84 . . . .
12 . 6.26 6.12 . . . .
13 . 0 0 . . . .
14 . . 0 . . . .
15 . . -1.9028 . . . .
16 . . -2.8889 . . . .
17 . . -3.3622 . . . .
18 . . -7.4854 . . . . ;
param E default 0 :=
1 1 1 1
2 1 2 1
3 1 3 1
4 1 4 1
4 1 5 1
1 2 1 1
2 2 2 1
3 2 3 1
4 2 4 1
4 2 12 1
5 2 5 1
5 2 12 -1
6 2 6 1
6 2 12 -1
7 2 7 1
7 2 12 1
8 2 8 1
8 2 12 1
9 2 4 1
9 2 5 1
10 2 2 1
10 2 5 1
10 2 12 -1
11 2 2 1
11 2 4 1
11 2 5 1
12 2 2 1
12 2 4 -1
12 2 5 1
12 2 12 -2
13 2 9 1
13 2 12 -1
1 3 1 1
2 3 2 1
3 3 3 1
4 3 4 1
5 3 5 1
6 3 6 1
7 3 7 1
8 3 8 1
9 3 4 1
9 3 5 1
10 3 2 1
10 3 5 1
11 3 2 1
11 3 4 -1
11 3 5 1
13 3 10 1
14 3 11 1
14 3 12 -4
15 3 1 1
15 3 11 1
15 3 12 -3
15 3 13 -1
16 3 1 2
16 3 11 1
16 3 12 -2
16 3 13 -2
17 3 1 3
17 3 11 1
17 3 12 -1
17 3 13 -3
18 3 1 4
18 3 11 1
18 3 13 -4
1 4 4 1
1 4 13 1
2 4 13 1
3 4 4 -1
3 4 13 1
3 4 15 -4
1 6 15 1
2 6 2 1
2 6 4 -1
2 6 15 1 ;
solve;
display _varname, _var;
FILTER-AMPL sample submission