CADETProcess.processModel.discretization.GRMDiscretizationFV

class CADETProcess.processModel.discretization.GRMDiscretizationFV(ncol, npar, par_geom, par_disc_type, par_disc_vector, par_boundary_order, use_analytic_jacobian, reconstruction, gs_type, max_krylov, max_restarts, schur_safety, fix_zero_surface_diffusion)

Discretization parameters of the FV version of the LRMP.

See also

CADETProcess.processModel.LRMPDiscretizationDG

CADETProcess.processModel.LumpedRateModelWithPores

Attributes:

ncolUnsignedInteger, optional

Number of axial column discretization cells. Default is 100.

nparUnsignedInteger, optional

Number of discretization cells in the radial direction. Default is 5.

par_geomSwitch, optional

The geometry of the particles in the model. Valid values are ‘SPHERE’, ‘CYLINDER’, and ‘SLAB’. Default is ‘SPHERE’.

par_disc_typeSwitch, optional

Discretization scheme inside the particles for all or each particle type. Valid values are ‘EQUIDISTANT_PAR’, ‘EQUIVOLUME_PAR’, and ‘USER_DEFINED_PAR’. Default is ‘EQUIDISTANT_PAR’.

par_disc_vectorSizedRangedList, optional

Node coordinates for the cell boundaries (ignored if par_disc_type != USER_DEFINED_PAR). The coordinates are relative and have to include the endpoints `0 and 1. They are later linearly mapped to the true radial range. The coordinates for each particle type are appended to one long vector in type-major ordering. Default is a uniformly spaced vector with npar+1 points between 0 and 1.

par_boundary_orderRangedInteger, optional

The order of the boundary scheme used to discretize the particles. Valid values are 1 (first order) and 2 (second order). Default is 2.

use_analytic_jacobianBool, optional

If True, use analytically computed Jacobian matrix (faster). If False, use Jacobians generated by algorithmic differentiation (slower). Default is True.

reconstructionSwitch, optional

Method for spatial reconstruction. Valid values are ‘WENO’ (Weighted Essentially Non-Oscillatory). Default is ‘WENO’.

gs_typeBool, optional

Type of Gram-Schmidt orthogonalization. If 0, use classical Gram-Schmidt. If 1, use modified Gram-Schmidt. The default is 1.

max_krylovUnsignedInteger, optional

Size of the Krylov subspace in the iterative linear GMRES solver. If 0, max_krylov = ncol * ncomp * npar is used, where ncomp is the number of components in the model. Default is 0.

max_restartsUnsignedInteger, optional

Maximum number of restarts to use for the GMRES method. Default is 10.

schur_safetyUnsignedFloat, optional

Safety factor for the Schur complement solver. Default is 1.0e-8.

fix_zero_surface_diffusionBool, optional

If True, fix the surface diffusion coefficient of particles with zero surface diffusion to a small positive value. Default is False.

Methods

check_required_parameters()

Verify if all required parameters are set.