240c93ff4f
Much of the algorithm for relaxing the element potentials
to equilibrium employs the Brinkley algorithm (const T, P)
(p. 129 Smith and Missen). This algorithm does better at
relaxing the system towards steady state from a bad initial
guess.
The old algorithm now does the last little bit and it does
the calculation for fixed pairs other than const T, P, using
the Brinkley algorithm's initial guess.
Modified the damping algorithm in the old method. It now doesn't
create false convergence failures when it is close to the
end of the calculation.
The new solver has been tested against a matrix of initial conditions
for the gri30 mechanism and a 200 species jp8 mechanism.
Yet to do:
This routine should work but has not been checked out against:
phases with electric charge
nonideal phases.
This routine should probably not yet work with
molality based phases.
More work may have to be done with the Brinkley algorithm for
problems which suffer from stoichiometric constraints. A full
Gauss-Jordon elimination step should probably be added to
flag cases where there are effective stoichiometric constraints.
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| .. | ||
| clib | ||
| cxx | ||
| fortran | ||
| lib | ||
| matlab | ||
| python | ||
| src | ||
| user | ||
| .cvsignore | ||
| Makefile.in | ||
| README.txt | ||
This directory contains the source for Cantera and its various
language interfaces.
clib - the library of C-callable functions used by the Python and
Matlab interfaces.
cxx - files that are only required for C++ application programs.
matlab - the Cantera Matlab toolbox
python - the Cantera Python package
src - the Cantera kernel, used by Cantera in all its forms