These differ specifically in the case of sticking reactions, where the
rate coefficient has units like m^3/kmol/s, depending on the reactant
orders while the sticking coefficient itself is dimensionless.
The forward rate constants for falloff and chemically activated reactions
already incorporate the third-body dependency, so the units should only
reflect the explicit reactants. This was being compensated for when
setting the units of the high/low pressure rate expressions, so it did
not affect any results.
Previously, accessing an ExtensibleRate object from a Reaction object
would create a new wrapper object rather than providing access to the
"original" object that is used by the ReactionRateDelegator, and this
wrapper object would not behave the same as the original object except
for methods that passed through via the Delegator.
Now, we return the underlying object, ensuring consistency. This requires
more complex memory management because the ExtensibleRate/Delegator pair
form a reference cycle that can be attached to other objects either from
the C++ or the Python side.
`test_net_rop_ddCi` was updated to use and account for reaction orders
appropriately. Many updates to docstrings and comments. Typo fixes.
usesCoverageDependence was also implemented in a more generic manner
so it can be extended to other reaction types.
The indexing has been fixed and works with multiple surfaces correctly avoiding
non-interacting phases. Tests were added to compare simple surface jacobians, gas
phase jacobians, and single reactions. Removed surface contribution to energy
equation terms as these contributions are not currently included in the system
of equations and caus spurious entries.
Updating documentation, notation, renaming, etc. It also fixes some
bugs that were founded. It finally adds a couple of methods to specify
if a surface has certain reaction types
This commit updates the way the Jacobian is translated to the reactor
jacobian and fixes the bug that causes difference by a factor of area
and volume. A test is added to compare two reactors with various bulk
phases and different orders of the phases.
