VlachosGroup openmkm issues

VlachosGroup / openmkm

Opensource software to model heterogeneous catalytic reactions. Based on Cantera

MIT License

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Homogeneous Catalytic Reactions

#57 lzhang5356 opened 6 months ago
0
Update README.md

#56 skasiraj closed 10 months ago
0
Print gas-phase reaction rates in the gas_gdot_out file

#55 skasiraj closed 1 year ago
0
Species Production Rate output overhaul

#54 skasiraj closed 1 year ago
0
Update install.md

#53 skasiraj closed 1 year ago
0
OpenMKM GitHub Cleanup

#52 skasiraj closed 2 years ago
0
Gas phase reactions

#51 francescalb closed 3 years ago
5
Compilation with cantera problematic after lates updates

#50 francescalb closed 3 years ago
15
Pressure bugs

#49 skasiraj closed 3 years ago
0
CleanUp

#48 skasiraj closed 3 years ago
0
Suggested contribution: Dockerfile

#47 francescalb closed 3 years ago
1
Meaning of additional note in rctr_state file documentation

#46 MaxRCohen closed 4 years ago
1
rctr_state mass values

#45 MaxRCohen closed 4 years ago
4
Output of surf_sdot.out

#44 MaxRCohen closed 4 years ago
1
Sensitivity analysis update to output.md

#43 wittregr closed 4 years ago
0
Why are Hrxn.out values pressure sensitive?

#42 MaxRCohen closed 2 years ago
11
Multiple surface species in an elementary reaction

#41 spbatchu opened 4 years ago
2
ReNView Integration

#40 jonlym closed 4 years ago
6
Add temperature programmed desorption options to input documentation

#39 jonlym closed 4 years ago
0
Documentation Update to output.md

#38 wittregr closed 4 years ago
0
Fill in the necessary information in all underlined sections and words of “BLANK” in the documentation.

#37 wittregr closed 4 years ago
6
Specify the units of the specific enthalpies reported in the rctr_state file

#36 wittregr closed 4 years ago
2
Reported values in the gas_msdot file

#35 wittregr closed 4 years ago
1
Information is provided in the sensitivity file output in a LSA run

#34 wittregr closed 4 years ago
1
Documentation of how to use the information in the LSA run output sensitivity file

#33 wittregr closed 4 years ago
1
FIM_Diag value the Fischer information matrix

#32 wittregr closed 4 years ago
3
Documentation of the information in the file output

#31 wittregr closed 4 years ago
2
Formula used to calculate Kc

#30 wittregr closed 2 years ago
5
Kc calculated at reactor outlet temperature and standard pressures of 1 bar for gaseous species

#29 wittregr opened 4 years ago
3
Formulas used to calculate kf

#28 wittregr opened 4 years ago
3
kf calculated at reactor inlet/outlet conditions

#27 wittregr closed 4 years ago
1
Values in the rates_ss.out file correspond to quantities at the outlet of the reactor

#26 wittregr opened 4 years ago
3
“Reactor State Data” section _ss.out and _tr.out files

#25 wittregr opened 4 years ago
5
rctr_state file density values of the gas phase

#24 wittregr opened 4 years ago
3
Clarify results for numerical PFR in the _ss.out

#23 wittregr opened 4 years ago
3
Fill out the sections titled “Files with _ss.out extension:” and “Files with _tr.out extension:”

#22 wittregr opened 4 years ago
3
Example of what gas_mole_ss.out and accompanying gas_mole_tr.out

#21 wittregr opened 4 years ago
3
Is Grxn calculated correctly from Hrxn ans Srxn

#20 wittregr closed 4 years ago
1
Are Hform and Sform calculated correctly

#19 wittregr closed 4 years ago
1
Pressures for Hform and Sform

#18 wittregr closed 4 years ago
3
Quantities of Hform and Sform

#17 wittregr closed 4 years ago
1
Updated input.md

#16 jonlym closed 4 years ago
0
Modified input.md

#15 jonlym closed 4 years ago
1
Proximity factors

#14 wittregr opened 4 years ago
0
Activation barrier input file (EAs.inp, EAg.inp)

#13 wittregr opened 4 years ago
2
Supporting YAML format for thermochemistry data

#12 mbkumar closed 4 years ago
8
PFR failing on different machines at different code optimization flag values

#11 mbkumar closed 4 years ago
1
Windows executable to displaying error thrown in the code

#10 mbkumar opened 4 years ago
2
Updated ctml_writer to clear global variables

#9 jonlym closed 4 years ago
2
CMake build support

#8 jtfrey closed 5 years ago
1