8fd9f5758c
To simplify maintenance and further development of chemistry solution the
standardChemistryModel and TDACChemistryModel have been merged into the single
chemistryModel class. Now the TDAC mechanism reduction and tabulation
components can be individually selected or set to "none" or the corresponding
entries in the chemistryProperties dictionary omitted to switch them off thus
reproducing the behaviour of the standardChemistryModel.
For example the following chemistryProperties includes TDAC:
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
chemistryType
{
solver ode;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
reduction
{
tolerance 1e-4;
}
tabulation
{
tolerance 3e-3;
}
#include "reactionsGRI"
and to run without TDAC the following is sufficient:
chemistryType
{
solver ode;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
#include "reactionsGRI"
or the "reduction" and "tabulation" entries can be disabled explicitly:
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
chemistryType
{
solver ode;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
reduction
{
method none;
tolerance 1e-4;
}
tabulation
{
method none;
tolerance 3e-3;
}
#include "reactionsGRI"
Stiff chemistry solver validation test cases gri : GRI-Mech 3.0. CH4 combustion, 53 species, 325 reactions h2 : H2 combustion, 10 species, 27 reactions nc7h16 : n-Heptane combustion, 544 species, 2446 reactions ic8h18 : iso-Octane combustion, 874 species, 3796 reactions Results interpreted in 'validation' sub-directory, where OpenFOAM results are compared against those predicted by CHEMKIN II. Overall the best performing ODE solver is seulex followed closely by rodas23.