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Author SHA1 Message Date
Christopher Lueth
42e2dd0c0b added enthalpy_mole(), entropy_mole().... capabilities to MargulesVPSSTP 2010-05-26 23:15:29 +00:00
Harry Moffat
2820296ac5 Fixed a typo in the makefile 2010-05-26 18:54:49 +00:00
Harry Moffat
9bba4579e8 Added two new functions 
productOrder
   getActivityConcentrations
 2010-05-26 18:13:34 +00:00
Harry Moffat
1644b1c3fe Added a root finder class. This class solves single equation solvers. 
It's actually, vcs_rootfd1D.cpp, however, putting it up here rather than
in the equil directory makes more sense.
 2010-05-26 02:08:04 +00:00
Harry Moffat
fae826750f Fixed a memory overwrite error in solveProb 2010-05-25 02:56:38 +00:00
Harry Moffat
9b5560f425 Incremental commit, cleaning up object 2010-05-23 15:25:02 +00:00
Harry Moffat
3167a96541 Initial commits of BEulerInt. This is a backwards euler stepper 
with lots of hooks. Using this to develop a subgrid electrode object.
 2010-05-23 15:11:55 +00:00
Harry Moffat
4856da5083 Added a solvers.h file 2010-05-23 02:46:46 +00:00
Harry Moffat
d8ae74198d Second iteration for solveProp. Added a routine to get the 
final answer out.
 2010-05-22 21:50:26 +00:00
Harry Moffat
45a427fe54 Added a first generation capability for a general nonlinear solver 
for steady state problems. This is based on the surface solver
 2010-05-22 20:32:29 +00:00
Harry Moffat
4253221ba7 Added a parseSpeciesName function 2010-05-15 00:09:34 +00:00
Harry Moffat
bda6c5aed4 Fixed an error in the destructor. Replaced delete with delete []. 2010-05-12 18:51:11 +00:00
Harry Moffat
1611b87155 Added version control information to winconfig.h 2010-05-08 18:06:27 +00:00
Harry Moffat
d2a6042f7f Added comments. 2010-05-08 02:02:10 +00:00
Harry Moffat
565e57d814 Added in routines that modify/fix the kinetics operator for heterogeneous 
reactions. Now the kinetics operator carries around information
that indicates whether a phase exists or not. If the phase exists
then the species in it can be consumed by the kinetics heterogeneous
operator. If it doesn't exist then species within the phase can
only be created by the kinetics operator.

Worked on Cantera's version control. 

In the config.h file, we now write several forms of version
control information as preprocessor defines

CANTERA_VERSION  = double quoted string id'ing the branch number
CANTERA_VERSION_MAJORNUMBER  major number of Cantera as an int

Defines that are specific to the branch and that are assigned a 1. e.g.:
#define CANTERA_VERSION_18       1
#define CANTERA_VERSION_18_XXX   1
#define CANTERA_VERSION_18_LTD   1

In the Cantera.mak file, we write


CANTERA_VERSION =  double quoted string id'ing the branch number
CANTERA_DEFINES = -DCANTERA_VERSION=@ctversion@
 2010-05-06 20:25:50 +00:00
John Hewson
e8d545fba9 Added classes to compute effects of porous flow on species transport. 
There are two primary methods in these classes: 

McMillan() that computes the ratio of the porous transport rate 
to the non-porous transport rate.

toruosityFactor() that computes the "tortuosity" component of this 
ratio (the increase in the diffusion length scale).

The base class implements a general Bruggemann formulation and subclasses
implement a percolation theory models and Maxwell's model.  

I did not put in copy constructors, etc., for these calsses yet.
 2010-05-05 22:49:34 +00:00
Harry Moffat
82e215d732 Changed the comments on one file. 2010-05-04 23:59:16 +00:00
Harry Moffat
75d434fc31 Changed the HKFT formulation. You now can specify 2 of the 3 parameters 
DG0, DH0, or S0. It will then internally calculate the third parameter
that is consistent with the other two.
 2010-04-21 17:57:22 +00:00
Harry Moffat
ec3e7278a0 Eliminated an overloaded function, getFloat() for vectors, 
that was a bit confusing. getFloatArray() can now handle the
functionality of getFloat(). 
Took getFloat() out of the code base.
 2010-04-21 03:36:07 +00:00
Harry Moffat
d466a63d51 Transfered some functions to the cpp file. 2010-04-15 19:55:23 +00:00
Harry Moffat
497e69d0d0 Worked on doxygen updates 
Split a file in two in order to make the directory more readable.
Started working on standardizing the files.
 2010-04-10 02:35:18 +00:00
Harry Moffat
49ba48e602 Fixed variable array declarations. 2010-04-10 01:35:13 +00:00
Christopher Lueth
20bf13dbd7 implemented reportCSV in MolalityPSSTP and PureFluidPhase 2010-04-06 16:37:11 +00:00
Harry Moffat
8f8b83e0a2 Changed the runtest so that a value of 0 returned from csvdiff 
indicates a successful test. Previously, it had been a 1. 
These tests in this branch weren't changed in my commit of last week.
 2010-04-05 16:35:49 +00:00
Christopher Lueth
1f6fe73076 Changed output format of reportCSV...still need to implement it properly in MolalityVPSSTP and PureFluidPhase 2010-04-02 23:11:47 +00:00
Harry Moffat
35d5677ab6 Changed the csvdiff default to return 0 on a successful test not 1. 
Then I changed all the test problems to follow the new default.
 2010-04-02 17:44:55 +00:00
Harry Moffat
356797655f Added a templated function that carries out deep copies 
of std vectors of pointers.
 2010-04-02 17:43:36 +00:00
Harry Moffat
d906ca5951 Fixed a compilation error 
Added doxygen info
 2010-04-02 17:40:52 +00:00
Christopher Lueth
58719349cb added reportCSV method to ThermoPhase class and all other derived classes that currently contain the report method. reportCSV will output phase data to a text file and a comma separated file that are passed in. 2010-04-01 23:05:39 +00:00
Christopher Lueth
a6042af1e7 Fixed error in IonsFromNeutral to allow for any order of the salts and ions 
updated doxygen to explain relationship between LiquidTransport, LiquidTransportData, and LiquidTransportParams
 2010-03-30 18:30:39 +00:00
Christopher Lueth
5cfd0514d3 Removed repetative functions from transport: now use only customary pass by pointers (not by references to Densematrix or vector_fp) 2010-03-26 16:45:27 +00:00
Harry Moffat
b77a8d7407 Added text 2010-03-26 16:23:37 +00:00
Harry Moffat
900f5d1530 Doxygen updates, and code formatting. No actual changes. 2010-03-25 17:23:36 +00:00
Harry Moffat
0bbd0879d5 Added doxygen comments. 2010-03-23 15:28:06 +00:00
Harry Moffat
2a62073948 Added doxygen comments. 2010-03-23 15:27:42 +00:00
Harry Moffat
ae2bd115d0 Worked on the interface, and took out some chaff 2010-03-20 03:09:22 +00:00
Harry Moffat
357c7ff4d9 Resurrected the SimpleTransport object. 
The test problem was failing and had been ignored.
 2010-03-19 23:07:45 +00:00
Harry Moffat
a20321e5c9 Worked on documenting using doxygen. 2010-03-19 16:44:17 +00:00
Harry Moffat
cb163c521f Deleted an unused property 2010-03-19 15:33:32 +00:00
Harry Moffat
fc30b6d4c1 fixed keywords property 2010-03-19 15:32:04 +00:00
Harry Moffat
409d407581 Changing prop name from keyword to keywords 2010-03-19 15:29:38 +00:00
Harry Moffat
bdf3bda124 Working on understanding keyword substitution. 2010-03-19 15:27:16 +00:00
Harry Moffat
43f7dd2e45 Changed the keywords specifier 2010-03-19 15:24:25 +00:00
Christopher Lueth
7080a151a6 Fixed how IonsFromNeutralVPSSTP.cpp calculates the density...now calculates the neutralmolecule_ density and sets its own. 
Fixed some issues in liquid transport w/ zeroing m_prop properly
 2010-03-10 16:37:40 +00:00
Christopher Lueth
01f915d01a Changed storage of stefan maxwell coefficients from Dij to 1/Dij...to allow for negative and zero values of the friction between species. 
Corrected some memory issues (LTP.cpp was creating null pointers for ionConductivity that were being used in LT.cpp)
 2010-03-04 18:02:58 +00:00
Harry Moffat
1bcec0aac7 Fixed the exchange current density rate coefficient option. 
There was an obvious error that caused cathodic reactions to fail.
 2010-03-02 21:39:42 +00:00
Christopher Lueth
4220cb318b commented ifdef block in neutralmolecmolegrads 2010-03-02 16:27:50 +00:00
Harry Moffat
c1879a15e5 Fixed a warning message in LiquidTransport constructor 
Added a deprecated message for array_fp.
 2010-03-02 00:59:45 +00:00
Christopher Lueth
5f327277b0 Corrected memory allocation for ionConductivity, mobRatio, selfDiffusion, etc. that may not be required as input. 2010-03-01 23:35:35 +00:00
Harry Moffat
263aeb6b35 Added a new way to specify the kinetics reaction rate coefficient 
when dealing with electron transfer surface reactions.
This way specifies an exchange current density reaction rate coefficient
in units of amps / m2.  This is slightly more informative for 
electrode reactions. 

The new also preserves the correct treatment of activity coefficients
for these reactions. 

A memo describing this new capability is in the works.
 2010-03-01 18:14:07 +00:00