research/OpenFOAM-2.4.x
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

chemkinReader: compute species charge number

Browse source
This commit is contained in:
ignis 2015-12-07 19:11:18 +09:00
parent db10b8be0e
commit d2ae04b978
3 changed files with 29 additions and 1 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

3
src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L
View file

@ -637,7 +637,8 @@ bool finishReaction = false;
(
currentSpecieName,
1.0,
molecularWeight(currentSpecieComposition)
molecularWeight(currentSpecieComposition),
chargeNumber(currentSpecieComposition)
),
currentLowT,
currentHighT,

22
src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
View file

@ -144,6 +144,28 @@ Foam::scalar Foam::chemkinReader::molecularWeight
}
Foam::scalar Foam::chemkinReader::chargeNumber
(
const List<specieElement>& specieComposition
) const
{
scalar nElemCharges = 0.0;
forAll(specieComposition, i)
{
label nAtoms = specieComposition[i].nAtoms;
const word& elementName = specieComposition[i].elementName;
if (elementName[0] == 'e')
{
nElemCharges += nAtoms;
}
}
return nElemCharges;
}
void Foam::chemkinReader::checkCoeffs
(
const scalarList& reactionCoeffs,

5
src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
View file

@ -251,6 +251,11 @@ private:
const List<specieElement>& specieComposition
) const;
scalar chargeNumber
(
const List<specieElement>& specieComposition
) const;
void finishElements(labelList& currentAtoms);
void checkCoeffs