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 \(C_{ND} = c_k^\mathrm{in} / c_\mathrm{ref}\).