With the changes to chemistryModel to evaluate and integrate reaction rates
mass-fraction based rather than mole-fraction based ISAT is now independent of
the thermodynamics and with some restructuring of chemistryModel and the
addition of the non-templated base-class odeChemistryModel is has been possible
to un-template chemistryTabulationMethods and ISAT in particular. This
simplifies the ISAT code and hence maintenance as well as reducing the
compilation time of chemistryModel on the various thermo packages.
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"
