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Author SHA1 Message Date
Ray Speth
60c221c845 [Kinetics] Combine ThirdBodyMgr and Enhanced3BConc as ThirdBodyCalc 
The old classes are now deprecated. The name change was needed to avoid
collisions with no-longer-necessary template parameter.
 2015-02-20 23:44:41 +00:00
Ray Speth
dab74d2d10 [Thermo] Deprecate mean_Y and sum_xlogQ methods of class Phase 2015-02-20 23:44:36 +00:00
Ray Speth
2ed8552939 [Thermo] Add a version of Phase::mean_X that takes vector_fp 
This simplifies all internal calls to this function
 2015-02-20 23:44:21 +00:00
Ray Speth
0ad8d45baf [Thermo] Deprecate classes PseudoBinaryVPSSTP and electrodeElectron 2015-02-20 23:43:29 +00:00
Ray Speth
09ce99dc83 [Thermo] Eliminate redundant assignment of m_kk 
m_kk is automatically set as species are added to a phase.
 2015-02-20 23:43:12 +00:00
Ray Speth
42e7061bd8 [Thermo] Remove unnecessary counter variables 
These counter variables just stored the length of another std::vector
member variable.
 2015-02-20 23:43:04 +00:00
Ray Speth
17bb09a2da [Equil] Remove unused member variables from VCS_SPECIES_THERMO 2015-02-20 23:42:54 +00:00
Ray Speth
b4492cb8a3 [Thermo] Whitespace cleanup in MaskellSolidSolnPhase 2015-02-20 00:11:30 +00:00
Thomas Fiala
4bc4fda90c Add C++ and Cython support for computing elemental mass/mole fractions 2015-02-17 23:23:51 +00:00
Ray Speth
170d50676a [Doc] Document definition of the sensitivity coefficient 2015-02-12 04:04:55 +00:00
Ray Speth
71d57330b6 [Thermo] Deprecate methods of IdealGasPhase that only worked for StatMech 2015-02-12 04:04:51 +00:00
Ray Speth
efb80dfe05 Remove unnecessary delimiter lines between functions 
A single line of white space is sufficient and consistent. Also moved a couple
Doxygen strings out of source files.
 2015-01-22 00:04:24 +00:00
Ray Speth
0a3332aa43 [Thermo] Add simpler constructors for SpeciesThermoInterpType objects 
These objects do not need to know the index of the species within the phase, so
the new constructors do not take that as an argument.

For the NASA polynomial constructors, the order of the coefficients arrays in
the new constructors has been modified to match the conventional ordering of the
coefficients as written in thermo database files.
 2015-01-22 00:04:06 +00:00
Ray Speth
598e47d644 [Thermo] NasaPoly1 stores coefficients in the conventional order 2015-01-22 00:04:03 +00:00
Ray Speth
b63d759918 [1D] Remove unused members of class StFlow 2015-01-15 21:15:24 +00:00
Ray Speth
af447cb85f [1D] Avoid repeated search for indices of radiating species 
Also, look for both uppercase and lowercase species names
 2015-01-15 21:15:20 +00:00
Ray Speth
bade514587 [1D] Fix up getters/setters/default values for radiation values 2015-01-15 21:15:18 +00:00
Andreas Rücker
49c963143e [1D] Add simple radiation model for flames 
Implements the radiation model of Liu & Rogg (1991). Optically thin limit,
gray-gas approximation using Planck mean absorption coefficients. Considers
emissions from CO2 and H2O, with the temperature-dependent absorption
coefficients calculated using polynomial fits to results from RADCAL
(Grosshandler, 1993).
 2015-01-15 21:15:15 +00:00
Ray Speth
217a001a08 [Doc] Correct title of "Chemically Reacting Flow" 2015-01-15 21:15:12 +00:00
Ray Speth
ad1cd8c7bb Remove unnecessary numerical constants 2015-01-15 21:15:07 +00:00
Ray Speth
fdf7db716e [Transport] Construct gas phase Transport without GasTransportParams 
Since most of the members of class GasTransportParams were copied to
MixTransport or MultiTransport, they have instead been made members of
GasTransport and populated directly, making class GasTransportParams
unnecessary.
 2015-01-13 23:07:00 +00:00
Ray Speth
bdc568d416 [Transport] Make constructors for MixTransport and MultiTransport public 2015-01-13 23:06:57 +00:00
Ray Speth
94d924e32d [Transport] Use gas transport data from Species objects 
This makes initialization of GasTransport objectsindependent of the XML input
format.
 2015-01-08 23:36:26 +00:00
Ray Speth
2a50dc50f7 [Thermo] Add accessor for Species objects 2015-01-08 23:36:24 +00:00
Ray Speth
8022e9e01e [Transport] Add gas phase transport parameters to Species objects 2015-01-08 23:36:22 +00:00
Ray Speth
07fd8e26c0 [Transport] Move gas transport initialization to class GasTransport 
Model-specific initialization code belongs in the classes implementing
the corresponding model, not in TransportFactory.
 2015-01-07 23:30:57 +00:00
Ray Speth
141e7d9b40 [1D] Make argument to Inlet1D::setMoleFractions const 
Fixes Issue 246.
 2015-01-06 23:37:31 +00:00
Ray Speth
e05da2a6a5 [Transport] Fix conversion of dipole moments from Debye to SI units 
The existing formulas for converting Debye to SI units did not maintain the
correct dimensionality for the dipole moment. The updated formulas do not change
the results of any calculations, but the dipole moment is now correctly
expressed in Coulomb-meters.
 2015-01-06 23:37:28 +00:00
Ray Speth
79baacc605 [Doc] Fix Doxygen subsection groupings 2015-01-06 23:37:25 +00:00
Ray Speth
ca9b7625d0 [Doc] Remove reference to non-existent 'State.h' 2014-12-12 01:37:06 +00:00
Ray Speth
ddfc15bb77 Allow CANTERA_DATA to include multiple directories 2014-12-12 01:36:56 +00:00
Ray Speth
7d19ee9488 Remove unneeded work array management from MultiNewton 2014-12-12 01:36:45 +00:00
Ray Speth
ba42bc6da2 [Doc] Remove suppression of Doxygen autolinking 
In those cases where the name is actually a reference to the class, we actually
want Doxygen to apply formatting to the name and link to the class's
documentation, so we shouldn't suppress that behavior with the prepended '%'.
 2014-12-05 23:33:24 +00:00
Ray Speth
34fa3aa5df [Doc] Add more documentation for class Reaction and its children 2014-11-19 20:27:51 +00:00
Ray Speth
c1e4430c8a [Doc] Fix formatting of Doxygen comments for Reaction classes 2014-11-19 20:27:38 +00:00
Ray Speth
4e99746457 [Kinetics] Allow explicit specification of the sticking species 2014-11-15 19:26:37 +00:00
Ray Speth
5958578c40 [Kinetics] Check for negative and non-reactant reaction orders 
Allow non-reactant orders for electrochemical reactions

Allow negative orders specifically requested, e.g. by setting the
'negative_orders' option in the CTI definition of the reaction.
 2014-11-15 00:47:25 +00:00
Ray Speth
e09db92756 [Doc] Fix some Doxygen warnings 2014-11-15 00:47:19 +00:00
Ray Speth
a2c415aaa5 [Kinetics] Add reactions using Reaction instead of ReactionData 
Deprecate class ReactionData and all related functions.
 2014-11-15 00:47:15 +00:00
Ray Speth
82fbff7a05 [Kinetics] Validate rate coefficient data for Reaction objects 2014-11-15 00:47:09 +00:00
Ray Speth
6727902c3f [Kinetics] Allow skipping third-body efficiencies when using Reaction 2014-11-15 00:47:04 +00:00
Ray Speth
ffe3eb5e5a [Kinetics] Check for undeclared species when using Reaction objects 
Skip the reaction or raise an exception based on the
'm_skipUndeclaredSpecies' flag
 2014-11-15 00:46:59 +00:00
Ray Speth
d72c2e7132 [Kinetics] Add reaction balance check to Kinetics 
This applies to reactions added using Reaction objects. Previously, the
check would only be performed for reactions added from an XML tree.
 2014-11-15 00:46:57 +00:00
Ray Speth
e2f15e97d4 [Kinetics] Add duplicate reaction checks using Reaction objects 2014-11-15 00:46:54 +00:00
Ray Speth
c39b93c424 [Kinetics] Automatically generate reaction equation strings 2014-11-11 00:12:28 +00:00
Ray Speth
f51ed2aa02 [Kinetics] Add factory functions for Reaction classes 2014-11-11 00:12:26 +00:00
Ray Speth
69650b8ec2 [Kinetics] InterfaceReaction supports sticking coefficients 2014-11-11 00:12:13 +00:00
Ray Speth
c4e6790fda [Kinetics] Implement addReaction from Reaction for InterfaceKinetics 2014-11-11 00:12:08 +00:00
Ray Speth
b19d7342fa [Kinetics] Refactor InterfaceKinetics::addReaction 2014-11-11 00:12:03 +00:00
Ray Speth
e4d2ed9b78 [Kinetics] Add SurfaceArrhenius constructor from Arrhenius 2014-11-11 00:11:59 +00:00