CADETProcess.processModel.discretization.GRMDiscretizationFV

class CADETProcess.processModel.discretization.GRMDiscretizationFV(spatial_method, 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)

Bases: DiscretizationParametersBase

Discretization parameters of the FV version of the LRMP.

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.

See also

CADETProcess.processModel.LRMPDiscretizationDG

CADETProcess.processModel.LumpedRateModelWithPores

fix_zero_surface_diffusion

Parameter descriptor constrained to boolean values.

Notes

This class also supports casting integers 0 and 1 to their boolean equivalents.

gs_type

Parameter descriptor constrained to boolean values.

Notes

This class also supports casting integers 0 and 1 to their boolean equivalents.

max_krylov

Parameter descriptor for unsigned integer parameters.

max_restarts

Parameter descriptor for unsigned integer parameters.

ncol

Parameter descriptor for unsigned integer parameters.

npar

Parameter descriptor for unsigned integer parameters.

par_boundary_order

Parameter descriptor for integers parameters constrained within bounds.

par_disc_type

Parameter that can be set to one of several predefined options.

Attributes:

validlist

List of valid options for the parameter.

Notes

Assign a value to this parameter from the valid list.

par_disc_vector

Descriptor for ranged lists whose size depends on other instance attributes.

property par_disc_vector_length: int

int: Number of entries in the particle discretization vector.

par_geom

Parameter that can be set to one of several predefined options.

Attributes:

validlist

List of valid options for the parameter.

Notes

Assign a value to this parameter from the valid list.

reconstruction

Parameter that can be set to one of several predefined options.

Attributes:

validlist

List of valid options for the parameter.

Notes

Assign a value to this parameter from the valid list.

schur_safety

Parameter descriptor for unsigned floating-point parameters.

spatial_method

Parameter that is immutable once set.

Attributes:

valueAny

The immutable value of the parameter.

Notes

Once set, the value of a Constant parameter cannot be modified.

use_analytic_jacobian

Parameter descriptor constrained to boolean values.

Notes

This class also supports casting integers 0 and 1 to their boolean equivalents.