A coverage-dependent thermochemistry library, and also some surface reaction libraries - #672

Open

12Chao wants to merge 7 commits into

ReactionMechanismGenerator:mainfrom

12Chao:update_thermo

Commits on May 22, 2026

data for cov-dep thermo test

12Chao
authored and
rwest
committed
4e20b1c
Add in the cov-dep thermo paraemter for CO on Ni

12Chao
authored and
rwest
committed
1146d0d
Add in the cov dep kinetics from doi.org/10.1021/acs.iecr.1c00389 ref 36

12Chao
authored and
rwest
committed
226086a
correct the cov dep data to be consistent with the literature

12Chao
authored and
rwest
committed
0360b2b
Add reactions from for methanation on Ni from literature

12Chao
authored and
rwest
committed
7160bcc
Add coverage dependent thermo models

12Chao
authored and
rwest
committed
c3328b7
Separate the new library from the old

12Chao
authored and
rwest
committed
adc4e07