Harry Moffat
9c114cb4c8
Took out a DEBUG_MODE ifdef where it didn't belong.
2008-09-05 00:54:40 +00:00
Harry Moffat
a441bbf272
Put in a scale factor for mole number within the nondimensionalization
...
routines. Now, the code can solve equilibrium problems for virtually
any range of total mole numbers.
2008-07-29 16:23:29 +00:00
Harry Moffat
0bd6ae596d
Added stateCalc to some vcs_VolPhase functions. This is work in progress.
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deltaGrxn() is now always based on irxn index.
2008-06-16 16:25:01 +00:00
Harry Moffat
045b4110e8
vcs_VolPhase updates to enable a more efficient StateCalc capability:
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incremental update that passes test suite.
task id# 1992186
2008-06-12 20:45:20 +00:00
Harry Moffat
bc17096919
changed the interface for vcs_dfe() and cleaned up stateCalc work
2008-06-04 16:58:56 +00:00
Harry Moffat
2ddf9a409f
Worked on making sure that vcs_deltag() adhered to the STATECALC concept.
2008-06-02 23:24:32 +00:00
Harry Moffat
beadead8b6
Eliminated a special case where a single species phase is zeroed out
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in a special way that doesn't follow the usual pattern. Trying to
get rid of special case handling.
2008-05-30 17:22:44 +00:00
Harry Moffat
61a3d2b2c4
Variable name changing. no change in algorithm
2008-05-18 15:37:20 +00:00
Harry Moffat
7a99ca115f
Name changes on variables, only
2008-05-17 23:52:13 +00:00
Harry Moffat
431eb16260
Variable name changing only
2008-05-16 22:00:16 +00:00
Harry Moffat
c76d8b7504
Changed names of variables.
2008-05-16 21:18:29 +00:00
Harry Moffat
7b4b970253
Name changes only
2008-05-16 15:25:08 +00:00
Harry Moffat
66a341d868
Variable name changes involving activity coefficients
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Some changes from m_actCoefSpecies_new to m_actCoeffSpecies_old
2008-05-14 20:03:57 +00:00
Harry Moffat
f741f96b3c
More variable and documentation checks.
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Added the VCS_STATECALC_ defines. Will try to clean up the evaluation
of phase properties using this concept.
2008-05-14 16:50:34 +00:00
Harry Moffat
6f07cb109e
variable name changes
2008-05-13 17:15:49 +00:00
Harry Moffat
9fcced29d0
Changed names of some variables.
2008-05-12 19:37:01 +00:00
Harry Moffat
03a1f8dca2
variable name changes and documentation update
2008-05-09 19:57:09 +00:00
Harry Moffat
7b4e4ec1c4
Simplify treatment of units within the equilibrium solver
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-> always assumes numbers are in kmol
-> always assumes pressures are in pascal
-> always assumes volumes are in m**3
2008-04-28 16:08:35 +00:00
Harry Moffat
6667d79319
Changed variable names.
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Fixed an error with the print out of the pressure units.
2008-04-25 02:38:38 +00:00
Harry Moffat
afd90fb206
change of variable names
2008-04-25 00:28:38 +00:00
Harry Moffat
0f4c0a3f7c
Changed variable names
2008-04-23 16:08:16 +00:00
Harry Moffat
4769e38ac0
Changed variable names
2008-04-23 15:19:24 +00:00
Harry Moffat
6b660b30c9
Changed variable names.
2008-04-22 22:50:33 +00:00
Harry Moffat
90bf6f92d7
Changed names of some variables.
2008-04-22 20:46:17 +00:00
Harry Moffat
5ee0f16d88
Changed names of a variable.
2008-04-21 19:27:07 +00:00
Harry Moffat
75c11d40b3
Changed the name of a variable.
2008-04-21 16:50:26 +00:00
Harry Moffat
69e42f89cc
Changed the name of a variable.
2008-04-18 22:21:47 +00:00
Harry Moffat
b9533bcf34
Changed name of a variable.
2008-04-17 16:53:17 +00:00
Harry Moffat
daa479d4f7
Changed the algorithm for picking the component basis.
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It used to be that the components were picked based on the magnitude
of their mole numbers. I changed this to the magnitude of the
mole numbers multiplied by the # elements in the species.
On one problem, a heptane combustion mechanism, this reduced the
number of iterations in the VCS algorithm from 1080 to 40. Obviously,
the convergence rate within the VCS method
depends on the ID of the components. This change should be considered
as a trial balloon. It may fall apart on some other problem.
I may be forestalling the obvious here. The more complete solution
is to formualte the hessian of the rxns involving the
major species, and then invert it, using cg probably, to get a better
iteration direction.
2008-04-14 17:22:02 +00:00
Harry Moffat
1f9e3cb24a
Eliminated the vcs_nasa_poly files from the equil solver.
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Working on getting the equil solver smaller, more direct,
and more documented.
2008-01-28 22:50:38 +00:00
Harry Moffat
1991e534a4
Added a capability to turn off all printing of timings. This is
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helpful for the test suite.
2008-01-24 18:01:48 +00:00
Harry Moffat
785de7f42c
Solaris 64 bit port modifications
2008-01-07 21:53:22 +00:00
Harry Moffat
d0e99aec18
Added vcs_nonideal, another equilibrium solver that can handle
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nonideal thermo multiphase systems.
2007-12-19 21:19:28 +00:00
