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[test-problems] Fix clib-test.c

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Mole fractions have to be set before T and P; otherwise, the pressure
changes. Before the change, the pressure was significantly lower than
5 atm. Also fix incorrect use of 'kin_newFromFile', which causes
unintended linkages to default objects that do not raise exceptions
but may lead to erroneous results.
This commit is contained in:
Ingmar Schoegl 2023-03-02 01:23:11 -06:00
parent 7f04d839f3
commit 34989299d2
2 changed files with 52 additions and 26 deletions
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8
test_problems/clib_test/clib_test.c
View File

@ -34,7 +34,7 @@ int main(int argc, char** argv)
ret = thermo_print(thermo, 1, 0); ret = thermo_print(thermo, 1, 0);
assert(ret == 0); assert(ret == 0);
int kin = kin_newFromFile("gri30.yaml", "gri30", thermo, 0, 0, 0, 0); int kin = kin_newFromFile("gri30.yaml", "gri30", thermo, -1, -1, -1, -1);
assert(kin > 0); assert(kin > 0);
size_t nr = kin_nReactions(kin); size_t nr = kin_nReactions(kin);
@ -63,12 +63,14 @@ int main(int argc, char** argv)
printf("%10s %8.6e\n", buf, dkm[k]); printf("%10s %8.6e\n", buf, dkm[k]);
} }
ret = thermo_setMoleFractionsByName(thermo, "CH4:1.0, O2:2.0, N2:7.52");
assert(ret == 0);
ret = thermo_setTemperature(thermo, 1050); ret = thermo_setTemperature(thermo, 1050);
assert(ret == 0); assert(ret == 0);
ret = thermo_setPressure(thermo, 5 * 101325); ret = thermo_setPressure(thermo, 5 * 101325);
assert(ret == 0); assert(ret == 0);
ret = thermo_setMoleFractionsByName(thermo, "CH4:1.0, O2:2.0, N2:7.52");
assert(ret == 0); thermo_print(thermo, 1, 1e-6);
printf("\ntime Temperature\n"); printf("\ntime Temperature\n");
int reactor = reactor_new("IdealGasReactor"); int reactor = reactor_new("IdealGasReactor");

70
test_problems/clib_test/output_blessed.txt
View File

@ -418,8 +418,8 @@
CO2 1.343550e-03 CO2 1.343550e-03
HCO 1.491843e-03 HCO 1.491843e-03
CH2O 1.479619e-03 CH2O 1.479619e-03
CH2OH 1.445208e-03 CH2OH 1.445198e-03
CH3O 1.445208e-03 CH3O 1.445198e-03
CH3OH 1.446742e-03 CH3OH 1.446742e-03
C2H 1.450980e-03 C2H 1.450980e-03
C2H2 1.436239e-03 C2H2 1.436239e-03
@ -433,7 +433,7 @@
N 2.349996e-03 N 2.349996e-03
NH 2.785123e-03 NH 2.785123e-03
NH2 2.726901e-03 NH2 2.726901e-03
NH3 2.104919e-03 NH3 2.104910e-03
NNH 1.652984e-03 NNH 1.652984e-03
NO 1.680343e-03 NO 1.680343e-03
NO2 1.498765e-03 NO2 1.498765e-03
@ -454,25 +454,49 @@
CH2CHO 1.246815e-03 CH2CHO 1.246815e-03
CH3CHO 1.241226e-03 CH3CHO 1.241226e-03
gri30:
temperature 1050 K
pressure 5.0662e+05 Pa
density 1.6036 kg/m^3
mean mol. weight 27.633 kg/kmol
phase of matter gas
1 kg 1 kmol
--------------- ---------------
enthalpy 6.5537e+05 1.811e+07 J
internal energy 3.3944e+05 9.3799e+06 J
entropy 8246.1 2.2787e+05 J/K
Gibbs function -8.0031e+06 -2.2115e+08 J
heat capacity c_p 1355.9 37470 J/K
heat capacity c_v 1055.1 29155 J/K
mass frac. Y mole frac. X chem. pot. / RT
--------------- --------------- ---------------
O2 0.22014 0.19011 -26.751
CH4 0.055187 0.095057 -34.733
N2 0.72467 0.71483 -23.704
[ +50 minor] 0 0
time Temperature time Temperature
0.00e+00 1050.000 0.00e+00 1050.000
5.00e-03 1050.063 5.00e-03 1050.064
1.00e-02 1050.192 1.00e-02 1050.197
1.50e-02 1050.361 1.50e-02 1050.369
2.00e-02 1050.578 2.00e-02 1050.593
2.50e-02 1050.858 2.50e-02 1050.881
3.00e-02 1051.216 3.00e-02 1051.253
3.50e-02 1051.680 3.50e-02 1051.736
4.00e-02 1052.286 4.00e-02 1052.370
4.50e-02 1053.088 4.50e-02 1053.216
5.00e-02 1054.174 5.00e-02 1054.372
5.50e-02 1055.692 5.50e-02 1056.007
6.00e-02 1057.919 6.00e-02 1058.448
6.50e-02 1061.450 6.50e-02 1062.431
7.00e-02 1067.905 7.00e-02 1070.141
7.50e-02 1084.644 7.50e-02 1094.331
8.00e-02 2894.008 8.00e-02 2894.921
8.50e-02 2894.004 8.50e-02 2894.921
9.00e-02 2894.004 9.00e-02 2894.921
9.50e-02 2894.004 9.50e-02 2894.921
1.00e-01 2894.004 1.00e-01 2894.921