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[Kinetics] Change temperatures used for P-log validation

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For rate expressions with negative activation energies, evaluating at
unphysically low temperatures (e.g. 1 K) could lead to overflows in calculating
exp(Ea/RT) that are not indicative of problems at more reasonable temperatures.
This commit is contained in:
Ray Speth 2014-07-25 18:32:37 +00:00
parent 8f4ab714ac
commit 1e078d4fd3
1 changed files with 2 additions and 2 deletions
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4
include/cantera/kinetics/RxnRates.h
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@ -523,12 +523,12 @@ public:
//! issue when one of the Arrhenius expressions at a particular pressure
//! has a negative pre-exponential factor.
void validate(const ReactionData& rdata) {
double T[] = {1.0, 10.0, 100.0, 1000.0, 10000.0};
double T[] = {200.0, 500.0, 1000.0, 2000.0, 5000.0, 10000.0};
for (pressureIter iter = pressures_.begin();
iter->first < 1000;
iter++) {
update_C(&iter->first);
for (size_t i=0; i < 5; i++) {
for (size_t i=0; i < 6; i++) {
double k = updateRC(log(T[i]), 1.0/T[i]);
if (!(k >= 0)) {
// k is NaN. Increment the iterator so that the error