Concentration Parameters
The physical parameters of each species need to be provided in
echemfem.EchemSolver.conc_params
, a list containing one dictionary for
each species. Below is a list of different keys that can appear in each dictionary.
Only the first key "name"
is required for every case.
- Key:
"name"
- Type:
- Description:
Species name. E.g.
"CO2"
- Uses:
Name of field in pvd output
Used to get index in the solution vector.
- Key:
"bulk"
- Type:
float
, firedrake expression- Description:
Concentration at the “bulk”.
- Uses:
Initial guess for the concentrations in
echemfem.EchemSolver.setup_solver()
Concentration value for
"bulk dirichlet"
,"bulk"
, and"inlet"
Boundary Conditions
- Key:
"gas"
- Type:
float
, firedrake expression- Description:
Concentration at the gas interface for the
"gas"
Boundary Conditions.
- Key:
"diffusion coefficient"
- Type:
float
, firedrake expression- Description:
Diffusion coeffcient of the species.
- Key:
"mass transfer coefficient"
- Type:
float
, firedrake expression- Description:
Coefficient used in the
"bulk"
Boundary Conditions.
- Key:
"solvated diameter"
- Type:
float
, firedrake expression- Description:
Solvated diameter of the ionic species if using
"finite size"
in Physical Parameters.
- Key:
"eliminated"
- Type:
- Description:
The species to be eliminated via the electroneutrality approximation if using
"electroneutrality"
in Physical Parameters.
- Key:
"C_ND"
- Type:
- Description:
For the nondimensionalization used in Roy et al, 2022. These weights are used to get the nondimensional charge conservation equation. In the paper \(C_{ND} = c_k^\mathrm{in} / c_\mathrm{ref}\).