`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.
A few condensed-phase species from the NASA dataset had two sets of
coefficients with the same species "name" for adjacent temperature
ranges. These apparent duplicates were removed by ck2yaml.
This update combines the data from these pairs of entries for these
species.
LiC6_electrodebulk.yaml was the only file in data/sample-data. Moving this file
to samples/data mimics the input file location for the jupyter repository.
This class provides access to the thermo and kinetics objects as the
correct derived types, i.e. SurfPhase and InterfaceKinetics, so
methods defined only for these derived types can be called easily.
Deletes CO2 interaction parameters from co2_PR_example.yaml, such that
phase construction in PengRobinson_Test.cpp covers the cirtical property
lookup capabilities in PengRobinson::getCoeff. Note that this required
changing some of the regression test expected values, as the critical
properties don't correspond perfectly with the interaction parameters
previously stored in co2_PR_exmple.yaml.
While the current 'liquid-water-IAPWS95' thermo model only implements liquid
(and supercritical) states, the underlying IAPWS formulation can be extended
beyond in future revisions.
- avoid 'liquid' as part of the nomenclature
- YAML phase name is updated to `water-iapws95`
- Instead of creating a new wrapper, `iapws95` is added as an alternative
backend to the existing `Water` class
This provides the ability to organize data files included with Cantera
and differentiate data which is useful for different purposes, e.g. sample
data which is only meant to demonstrate capabilities and may not be
physically meaningful.
See Cantera/enhancements#22.
Fixes#774
Ensure that the name returned by Sub::name() is a name that can be used to
reconstruct a substance of the same type.
Make phase names in liquidvapor.yaml match the substance model names.
