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938 commits

Author SHA1 Message Date
Ray Speth
b63d759918 [1D] Remove unused members of class StFlow 2015-01-15 21:15:24 +00:00
Ray Speth
020f3e756c [1D] Only update radiation flux for specified range grid points 2015-01-15 21:15:22 +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
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
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
Steven DeCaluwe
8070d661d2 Tidying up cp_Ref calcualtions in MultiTransport 2014-12-16 19:40:23 +00:00
Steven DeCaluwe
1f6d0d898a Forgot to delete old definition of 'cp' in previous commmit. 2014-12-16 13:32:11 +00:00
Steven DeCaluwe
661758d64d Correcting Cp_ref calculation in MultiTransport, which previously 
assumed an ideal gas phase.
 2014-12-16 13:32:08 +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
0ad587f50b Remove some unnecessary temporary references 2014-12-12 01:36:35 +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
4ca0bedecd Remove unnecessary use of const_cast 2014-12-05 23:33:17 +00:00
Ray Speth
d830012340 Remove unnecessary explicit calls to operator() and operator= 2014-12-05 23:33:15 +00:00
Ray Speth
cdf764be4a [Transport] Allow CK_Mix and CK_Multi transport models in 1D flames 2014-11-19 20:27:57 +00:00
Ray Speth
4e99746457 [Kinetics] Allow explicit specification of the sticking species 2014-11-15 19:26:37 +00:00
Ray Speth
ced2d20dd8 Use XML_Node::attrib when it is more clear than using operator[] 2014-11-15 00:47:31 +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
7438e791b5 Update comments in Kinetics::addReaction 2014-11-15 00:47:18 +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
e3022a8057 [Kinetics] Check Reaction objects for orders on reversible reactions 2014-11-15 00:47:13 +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
Ray Speth
028bca0d73 [Kinetics] Implement addReaction from Reaction for AqueousKinetics 2014-11-11 00:11:55 +00:00
Ray Speth
be585aab3e [Kinetics] Implement direct constructor for ChebyshevRate 2014-11-11 00:11:33 +00:00
Ray Speth
191e9bcc42 [Kinetics] Implement direct constructor for P-log reactions 2014-11-11 00:11:31 +00:00
Ray Speth
b4afcd3e8e [Kinetics] Implement addReaction using Reaction objects for GasKinetics 
This covers elementary, third-body, and falloff reaction types
 2014-11-11 00:11:25 +00:00
Ray Speth
c0944f1700 [Kinetics] Basic implementation of class Reaction and descendants 2014-11-11 00:11:17 +00:00
Ray Speth
82dca88af2 Fix VPSSMgr error messages 
Display the actual name of the species rather than the name of the species XML
node, which is always just "species".

Make method names in error messages match the methods where they are generated.
 2014-11-11 00:11:05 +00:00
Ray Speth
39b751d655 [Equil] Always use the member function versions of 'equilibrate' 
The various free functions are deprecated, along with the now unnecessary
headers 'equil.h' and 'equilibrium.h'.
 2014-11-08 00:53:45 +00:00
Ray Speth
8c934ab678 [Equil] Implement equilibrate as a method of MultiPhase 
This differs from the current equilibrate method in that it can use either of
the multiphase equilibrium solvers.
 2014-11-08 00:53:42 +00:00
Ray Speth
e16e998dd7 [Equil] Implement equilibrate as a method of ThermoPhase 
The Cython interface now calls this equilibrate function.

Unlike the free function 'equilibrate', this new equilibrate method actually
does what the documentation describes regarding the 'solver' argument. This
means that there are cases where failures of the MultiphaseEquil solver were
previously being hidden by a subsequent successful solution using the ChemEquil
solver. These tests have been marked as known failures.
 2014-11-08 00:53:39 +00:00