Harry Moffat
19cd590ac2
Another iteration on trying to unify the water treatment between
...
the 2 objects.
2006-07-13 20:05:11 +00:00
Harry Moffat
07d5b6a6aa
Unifying the water treatment between objects.
...
Found a bug in getPartialMolarEntropy in HMWSoln that wasn't covered
in the test suite.
2006-07-12 15:41:38 +00:00
Harry Moffat
60ff5fb20e
Iteration on unifying water treatments in the 2 objects.
2006-07-12 00:46:34 +00:00
Dave Goodwin
ec04dbe060
*** empty log message ***
2006-07-11 18:12:06 +00:00
Dave Goodwin
f325a1b190
initial import
2006-07-11 16:30:24 +00:00
Dave Goodwin
ca65c77427
*** empty log message ***
2006-07-11 16:07:46 +00:00
Dave Goodwin
660e5a7812
commented out 2 output statements
2006-07-11 15:40:59 +00:00
Dave Goodwin
4c0648b5b2
commented out code that will try to find a cti file if the xml file is not found.
2006-07-11 15:38:22 +00:00
Dave Goodwin
3436e52eab
minor cleanup
2006-07-11 15:35:46 +00:00
Dave Goodwin
6f06be3182
made destructor virtual
2006-07-11 15:34:51 +00:00
Dave Goodwin
d7cf9cc53a
added some consts, and a routine to read a multiphase mixture from an input file, but this is not yet active
2006-07-11 15:33:30 +00:00
Dave Goodwin
7da64f4af7
added Crystal class, DAE_Solvers
2006-07-11 15:31:39 +00:00
Dave Goodwin
d5211ffd6b
initial import
2006-07-11 15:28:51 +00:00
Dave Goodwin
b79414ece7
updated for latest sundials
2006-07-11 15:28:23 +00:00
Dave Goodwin
3662c314ee
fixed minor bug that caused problems in some cases when an element was excluded.
2006-07-11 15:25:57 +00:00
Harry Moffat
d5affaa953
Took out an unneeded parameter B_Debye in Pitzer model.
...
Switched to DEBUG_MODE for optional printing.
2006-07-07 18:05:36 +00:00
Harry Moffat
ea1e5cedb8
Added the DebyeHuckel object.
...
Note, this object needs a bit of work. It's not connected to the
real model of water yet.
2006-07-07 00:27:26 +00:00
Harry Moffat
b44ec59837
Added general .h define file
2006-07-06 15:41:15 +00:00
Harry Moffat
b5c1023aa8
Added a utility routine.
2006-07-06 15:40:07 +00:00
Harry Moffat
6aa9287438
Added Pitzer Object
2006-07-06 15:39:34 +00:00
Harry Moffat
29bd558cc2
First commit of water properties routines. These are
...
under-the-hood routines for calculation of water electrolyte
thermochemistry.
2006-07-04 00:01:53 +00:00
Harry Moffat
71ef5ebfcc
Fix for negative pre-exponential factors producing NaN rates
...
of progress. This bug was reported in the Cantera newsgroup.
The fix consists of replacing
Rc = exp ( mlogA + blogT - Ea / RT)
with
Rc = A * exp (b logT - Ea/RT)
Therefore, the log of A never has to be taken.
Note, this also allows for a zero rate of progress for a reaction.
Consequences:
The permissible range of the rate constant values may be altered.
Numerical roundoff differences will occur, since the order of
operations in key rate constant evalulations has been changed.
Speed of the calculation may be affected. I have no idea which way.
The fix should be considered as provisional. There are different pathways
for fixing this. This is merely the simplest.
2006-07-03 19:57:29 +00:00
Harry Moffat
228ebc78b1
Added a couple of comments.
2006-07-03 19:41:57 +00:00
Harry Moffat
20a21103cb
Doxygen fixes.
2006-06-23 20:35:16 +00:00
Harry Moffat
cfdd7d7293
Doxygen formatting changes.
2006-06-23 20:31:12 +00:00
Dave Goodwin
e778904e56
added C++ combustor example
2006-06-23 14:31:19 +00:00
Dave Goodwin
4c188f51b3
added combustor example
2006-06-23 14:28:53 +00:00
Harry Moffat
f1615cbdcd
Took out a spurious print statement.
2006-06-20 23:15:08 +00:00
Harry Moffat
5a8ba61ffd
Reduced the number of doxygen error messages.
2006-06-19 23:15:43 +00:00
Harry Moffat
88f9171755
Added an IdealMolalSoln object.
2006-06-19 23:14:12 +00:00
Harry Moffat
4e60625f62
Added a .depends rule
2006-06-19 14:35:06 +00:00
Harry Moffat
2f0d1837b7
changed the write_int() routine to produce prettier output.
2006-06-13 17:06:07 +00:00
Harry Moffat
6b6dec5ef8
Added comments to addFloatArray()
...
Corrected comments for procedure getInteger()
getFloatArray():
Added XML name checking. The default name is still "getFloatArray".
However, now other XML names are acceptable.
Changed atof() calls to atofCheck()
Changed the code so that a comma can be the last non-spaced character
in the value field.
2006-06-13 17:04:21 +00:00
Harry Moffat
08f2c4e098
Added support for conditional compilation of thermo directory.
2006-06-13 16:05:43 +00:00
Harry Moffat
85713b3c1f
Changed importPhase to call initThermoXML, not initThermo at the
...
end of its execution.
2006-06-13 16:04:26 +00:00
Harry Moffat
1112932a31
Changed a few functions to be virtual, in order to support
...
incompressible equations of state.
2006-06-13 16:03:23 +00:00
Harry Moffat
7971238d37
Added an IdealSolidSolnPhase capability. Changed existing thermo files
...
to use initThermoXML().
2006-06-13 16:02:41 +00:00
Harry Moffat
9013880adb
Fixed a typo
2006-06-13 00:57:35 +00:00
Harry Moffat
9d25a936a6
Fixed an error mentioned in the Cantera newsgroup.
2006-06-13 00:24:26 +00:00
Harry Moffat
d6f11c26ce
Added the function getPartialMolarCp(). It isn't currently in the
...
API, but it should be.
2006-06-13 00:20:57 +00:00
Harry Moffat
092ee39483
Fixed a minor case which resulted in a core dump.
2006-06-13 00:19:00 +00:00
Dave Goodwin
68ba6e635b
minor changes
2006-06-11 11:36:09 +00:00
Dave Goodwin
799f2b44b2
changed tdata.csv to tdata.dat
2006-06-10 17:15:32 +00:00
Dave Goodwin
141dff9da5
added fixed T flame example
2006-06-10 17:07:07 +00:00
Harry Moffat
351c9b8dac
Fixed a typo and added getStandardVolumes() routine.
2006-06-08 14:05:41 +00:00
Dave Goodwin
de47fa7774
added LatticePhase to configure.in
2006-05-31 18:06:47 +00:00
Dave Goodwin
08a855359a
*** empty log message ***
2006-05-30 16:15:48 +00:00
Harry Moffat
c3d097140d
used popError() on two cases where errors are caught and delt with.
2006-05-27 23:34:09 +00:00
Dave Goodwin
1023b2bbcb
*** empty log message ***
2006-05-26 23:08:03 +00:00
Dave Goodwin
33b114b178
*** empty log message ***
2006-05-26 23:08:03 +00:00
