Harry Moffat
f42594d9d9
Added an example of SingleSpeciesTP, called StoichSubstanceSSTP, which
...
does the same thing as the StoichSubstance in the previous directory.
Put more functionality in the SingleSpeciesTP level; it now evaluates
the reference polynomials.
2005-10-24 21:52:23 +00:00
Harry Moffat
d0a499d70e
Moved the getStandardChemPotentials() routine to the standard state
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functions member group.
2005-10-24 21:38:14 +00:00
Harry Moffat
218f2f43b1
Added a thermo.h file to the cxx directory. This file is analogous
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to the transport.h file.
2005-10-24 18:03:12 +00:00
Harry Moffat
60eb2c2968
Moved the getActivities and getActivityCoefficients() functions
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to the activities member group.
2005-10-24 17:03:13 +00:00
Dave Goodwin
a81572e920
initial import
2005-10-24 16:41:24 +00:00
Harry Moffat
046dc24775
Added the copy constructor and assignment operator.
2005-10-24 15:39:22 +00:00
Harry Moffat
2fe5f76650
Generalization of the getStick() routine, to include the
...
case where you have bulk reactants as well as surface reactants
and a single gas phase reactant.
2005-10-22 00:53:22 +00:00
Harry Moffat
df149f7f6c
Added cvs information to the file.
2005-10-22 00:35:47 +00:00
Harry Moffat
4354869230
Missed a .h file in the last commit.
2005-10-22 00:29:02 +00:00
Harry Moffat
5de3c69245
General commit for a reworking of the Species reference state thermo
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calculation. This is a reclarification of the reference state thermo
calculations for individual species, and an expansion to handle
liquid phase thermo needs.
There is now a virtual base class for the calculation of reference state
thermo functions for individual species. It is called
SpeciesThermoInterpType.
There is also a class which allows for a complete general
calculation of the reference state species thermo for a phase,
GeneralSpeciesThermo.
Some of this new functionality may be relegated to ifdef blocks
in the future to limit the amount of code for users who don't
need the new functionality.
2005-10-22 00:18:16 +00:00
Harry Moffat
ece819061c
Added cvs info for this file.
2005-10-21 22:44:18 +00:00
Harry Moffat
91ac1a238e
Fixed an error in the doxygen comments that caused my version
...
of doxygen to segfault. This was caused by member groups not
having a closing bracket.
2005-10-21 22:41:15 +00:00
Harry Moffat
c431590dad
Filled out 2 missing functions to this ThermoPhase object:
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getIntEnergy_RT() and getIntEnergy_RT_ref().
2005-10-21 22:25:53 +00:00
Harry Moffat
18ffa552d1
Added a detailed doxygen member function description.
2005-10-21 22:16:37 +00:00
Harry Moffat
b4dcb8a231
Added more documentation to doxygen.
2005-10-21 22:15:35 +00:00
Harry Moffat
c98c60138a
Added 3 missing member functions. Note, this class is still not
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complete; it's missing the ref functions.
2005-10-21 21:57:24 +00:00
Harry Moffat
18bbff355a
Changed some comments so that they reflect the correct units.
2005-10-21 21:42:20 +00:00
Harry Moffat
3f3fd4c44d
Added entries to the errorhandling group in the doxygen documentation.
2005-10-21 21:39:15 +00:00
Harry Moffat
6824722e34
Eliminated a doxygen warning message.
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Also, took out the log file entry.
2005-10-21 21:38:18 +00:00
Harry Moffat
4865aec55d
Just changed the comments. Added an errorhandling group to group
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together functions and classes dealing with error handling in
the doxygen output.
2005-10-21 21:35:35 +00:00
Harry Moffat
ad0459c412
Added the unit 'gmol' to the list of recognized units.
...
Added more accuracy to the eV unit.
2005-10-21 21:28:58 +00:00
Harry Moffat
82fa55b04a
Added a copy constructor and an assignment operator.
2005-10-21 18:23:08 +00:00
Harry Moffat
593c6b4aeb
Added a routine to the ThermoPhase specification: activityConvention().
...
This has a default value of molar-based. The other option is molality
based.
2005-10-21 16:18:39 +00:00
Harry Moffat
f0588ae816
Added the file config.h to this list.
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It's a generated file.
2005-10-21 15:51:06 +00:00
Dave Goodwin
219649e5ac
*** empty log message ***
2005-10-21 01:03:40 +00:00
Dave Goodwin
5f6f2481f3
initial import
2005-10-21 00:57:11 +00:00
Harry Moffat
b955c1f025
Added a compilation define when electrolytes are included.
2005-10-20 23:33:37 +00:00
Harry Moffat
b7ee709be7
Added support for compiling the src/thermo directory.
2005-10-20 23:31:16 +00:00
Harry Moffat
65e3066fac
Added the WITH_ELECTROLYTE keyword into the script. However, I
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have made the default so that the thermo directory is not
compiled.
2005-10-20 23:30:28 +00:00
Harry Moffat
5aa7faf300
Added logic for including the thermo directory into the main
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compilation step.
2005-10-20 23:29:00 +00:00
Harry Moffat
0f446fa2b8
Added the SingleSpeciesTP file as a trial commit. Want to get the
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bugs out of adding these files to the main distribution first.
2005-10-20 23:27:42 +00:00
Harry Moffat
8b81c0400e
Commented the _require() routine.
2005-10-04 16:53:35 +00:00
Dave Goodwin
3f3ca7d62c
*** empty log message ***
2005-09-30 18:02:59 +00:00
Dave Goodwin
a2a33f1cac
*** empty log message ***
2005-09-30 16:38:09 +00:00
Harry Moffat
c32ef71f0e
Fixed a compilation error on Linux.
2005-09-29 21:05:42 +00:00
Dave Goodwin
14efd3f77c
minor cleanup
2005-09-27 12:12:05 +00:00
Dave Goodwin
518a4965dd
removed reference to recipes.h
2005-09-27 12:08:49 +00:00
Dave Goodwin
b381b149aa
changed stripws to allow spaces in the middle of strings
2005-09-27 12:08:17 +00:00
Dave Goodwin
abd8130e99
added phi title to output csv file
2005-09-22 03:45:45 +00:00
Dave Goodwin
29825431df
changes to support the classes for CO2 and heptane in tpx
2005-09-16 04:57:32 +00:00
Dave Goodwin
11a9b6888e
added files for CO2 and heptane contributed by R. Hunt, Stanford
2005-09-16 04:55:51 +00:00
Dave Goodwin
2775bed68d
*** empty log message ***
2005-09-15 03:50:36 +00:00
Dave Goodwin
2db47e4018
changes to make solution of user-defined BVPs simpler.
2005-09-15 03:50:04 +00:00
Dave Goodwin
cfad5d0430
overloaded setupGrid in boundary1D to do nothing. Without this, Domain1D::setupGrid would be called for connector domains.
2005-09-15 03:47:20 +00:00
Dave Goodwin
e1abea2019
added comment
2005-09-15 03:43:17 +00:00
Dave Goodwin
7cb02cda46
changed error tolerance for time integration. The previous large value of atol was causing problems.
2005-09-15 03:40:47 +00:00
Dave Goodwin
a6b65715d7
*** empty log message ***
2005-09-13 17:10:43 +00:00
Dave Goodwin
7718361c94
modifications to simplify solving boundary value problems
2005-09-13 17:10:08 +00:00
Dave Goodwin
45c5ab1f98
added test of extensions for large molecules as implemented in the MIT soot mechanism.
2005-09-02 03:41:43 +00:00
Dave Goodwin
91e0166c57
removed silane_eqil
2005-08-30 20:28:47 +00:00
