mod_species Module

Finite-Volume transport solver for chemical species mass fractions.

This module implements non-reacting finite-volume transport for $N$ chemical species mass fractions $Y_k$. The solver supports: 1. Upwind Advection: A 1st-order stable scheme for robust transport of sharp scalar gradients. 2. Corrected Diffusion: Diffusive fluxes are explicitly corrected to ensure the net mass flux sums to zero $\sum \mathbf{j}_k = 0$. 3. Mass Conservation: Enforces $\sum Y_k = 1$ and boundedness $[0, 1]$ after every timestep. Chemical reactions and source terms are currently disabled in the supported path. 4. MPI Synchronization: Efficiently gathers owned-cell updates into the globally replicated mesh field.

Derived Types

type, public ::  species_fields_t

Container for multi-species mass fraction fields.

Components

Type	Visibility	Attributes		Name		Initial
real(kind=rk),	public,	allocatable	::	Y(:,:)
real(kind=rk),	public,	allocatable	::	Y_old(:,:)
character(len=name_len),	public,	allocatable	::	names(:)
integer,	public		::	nspecies	=	0
real(kind=rk),	public,	allocatable	::	rhs_old(:,:)
logical,	public		::	rhs_old_valid	=	.false.

Subroutines

public subroutine advance_species_transport(mesh, flow, bc, params, fields, species, transport)

Performs one explicit Euler step for non-reacting species transport.

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Arguments

Type	Intent	Optional	Attributes		Name
type(mesh_t),	intent(in)			::	mesh	The computational mesh.
type(flow_mpi_t),	intent(inout)			::	flow	MPI decomposition data for synchronization.
type(bc_set_t),	intent(in)			::	bc	Boundary condition settings.
type(case_params_t),	intent(in)			::	params	Simulation parameters (dt, etc).
type(flow_fields_t),	intent(in)			::	fields	Flow field (velocity/face fluxes).
type(species_fields_t),	intent(inout)			::	species	Mass fraction fields to update.
type(transport_properties_t),	intent(in)			::	transport	Physical properties (diffusivities).

public subroutine finalize_species(species)

Safely deallocates species fields and names.

Arguments

Type	Intent	Optional	Attributes		Name
type(species_fields_t),	intent(inout)			::	species

public subroutine initialize_species(mesh, params, species)

Populates species fields with initial mass fractions and handles naming.

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Arguments

Type	Intent	Optional	Attributes		Name
type(mesh_t),	intent(in)			::	mesh	The computational mesh.
type(case_params_t),	intent(in)			::	params	Input configuration.
type(species_fields_t),	intent(inout)			::	species	The fields to initialize.

private subroutine repair_cell_mass_fractions(Y_cell, nspecies)

Keeps the local species mass fractions on the bounded physical simplex.

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Arguments

Type	Intent	Optional	Attributes		Name
real(kind=rk),	intent(inout)			::	Y_cell(:)
integer,	intent(in)			::	nspecies	Total number of species in Y_cell.