m_chemistry Module Reference

Module for handling chemical reactions. More...

Functions/Subroutines
subroutine, public	chemistry_initialize (tree, cfg)
	Initialize module and load chemical reactions.
subroutine, public	chemistry_write_summary (fname)
	Write a summary of the reactions (TODO) and the ionization and attachment coefficients (if working at constant pressure)
subroutine, public	chemistry_get_breakdown_field (field_td, min_growth_rate)
	Get the breakdown field in Townsend.
subroutine, public	get_rates (fields, rates, n_cells, energy_ev)
	Compute reaction rates.
subroutine, public	get_derivatives (dens, rates, derivs, n_cells)
	Compute derivatives due to chemical reactions. Note that the 'rates' argument is modified.
subroutine, public	read_reactions (filename, read_success)
	Read reactions from a file.
elemental integer function, public	species_index (name)
	Find index of a species, return -1 if not found.

Variables
integer, parameter, public	ionization_reaction = 1
	Identifier for ionization reactions.
integer, parameter, public	attachment_reaction = 2
	Identifier for attachment reactions.
integer, parameter, public	recombination_reaction = 3
	Identifier for recombination reactions.
integer, parameter, public	detachment_reaction = 4
	Identifier for detachment reactions.
integer, parameter, public	general_reaction = 5
	Identifier for general reactions (not of any particular type)
character(len=20), dimension(*), parameter, public	reaction_names = [character(len=20) :: "ionization", "attachment", "recombination", "detachment", "general"]
integer, parameter	rate_tabulated_energy = 0
	Reaction with a field-dependent reaction rate.
integer, public, protected	n_species = 0
	Number of species present.
integer, public, protected	n_gas_species = 0
	Number of gas species present.
integer, public, protected	n_plasma_species = 0
	Number of plasma species present.
integer, public, protected	n_reactions = 0
	Number of reactions present.
character(len=comp_len), dimension(max_num_species), public, protected	species_list
	List of the species.
integer, dimension(max_num_species), public, protected	species_charge = 0
	Charge of the species.
integer, dimension(max_num_species), public, protected	species_itree
	species_itree(n) holds the index of species n in the tree (cell-centered variables)
type(reaction_t), dimension(max_num_reactions), public, protected	reactions
	List of reactions.
integer, dimension(:), allocatable, public, protected	charged_species_itree
	List with indices of charged species.
integer, dimension(:), allocatable, public, protected	charged_species_charge
	List with charges of charged species.

Detailed Description

Module for handling chemical reactions.

Function/Subroutine Documentation

chemistry_get_breakdown_field()

subroutine, public m_chemistry::chemistry_get_breakdown_field	(	real(dp), intent(out)	field_td,
		real(dp), intent(in)	min_growth_rate )

Get the breakdown field in Townsend.

Parameters

[out]	field_td	Breakdown field in Townsend
[in]	min_growth_rate	Minimal growth rate for breakdown

Definition at line 518 of file m_chemistry.f90.

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chemistry_initialize()

subroutine, public m_chemistry::chemistry_initialize	(	type(af_t), intent(inout)	tree,
		type(cfg_t), intent(inout)	cfg )

Initialize module and load chemical reactions.

Definition at line 177 of file m_chemistry.f90.

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chemistry_write_summary()

subroutine, public m_chemistry::chemistry_write_summary

(

character(len=*), intent(in)

fname

)

Write a summary of the reactions (TODO) and the ionization and attachment coefficients (if working at constant pressure)

Definition at line 428 of file m_chemistry.f90.

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get_derivatives()

subroutine, public m_chemistry::get_derivatives	(	real(dp), dimension(n_cells, n_species), intent(in)	dens,
		real(dp), dimension(n_cells, n_reactions), intent(inout)	rates,
		real(dp), dimension(n_cells, n_species), intent(out)	derivs,
		integer, intent(in)	n_cells )

Compute derivatives due to chemical reactions. Note that the 'rates' argument is modified.

Parameters

[in]	dens	Species densities
[in,out]	rates	On input, reaction rate coefficients. On output, actual reaction rates.
[out]	derivs	Derivatives of the chemical species

Definition at line 657 of file m_chemistry.f90.

get_rates()

subroutine, public m_chemistry::get_rates	(	real(dp), dimension(n_cells), intent(in)	fields,
		real(dp), dimension(n_cells, n_reactions), intent(out)	rates,
		integer, intent(in)	n_cells,
		real(dp), dimension(n_cells), intent(in), optional	energy_ev )

Compute reaction rates.

Todo

These reactions do not take into account a variable gas_temperature

Parameters

[in]	n_cells	Number of cells
[in]	fields	The field (in Td) in the cells
[out]	rates	The reaction rates
[in]	energy_ev	Electron energy in eV

Definition at line 565 of file m_chemistry.f90.

read_reactions()

subroutine, public m_chemistry::read_reactions	(	character(len=*), intent(in)	filename,
		logical, intent(out)	read_success )

Read reactions from a file.

Definition at line 741 of file m_chemistry.f90.

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species_index()

elemental integer function, public m_chemistry::species_index

(

character(len=*), intent(in)

name

)

Find index of a species, return -1 if not found.

Definition at line 1161 of file m_chemistry.f90.

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Variable Documentation

attachment_reaction

integer, parameter, public m_chemistry::attachment_reaction = 2

Identifier for attachment reactions.

Definition at line 16 of file m_chemistry.f90.

charged_species_charge

integer, dimension(:), allocatable, public, protected m_chemistry::charged_species_charge

List with charges of charged species.

Definition at line 160 of file m_chemistry.f90.

charged_species_itree

integer, dimension(:), allocatable, public, protected m_chemistry::charged_species_itree

List with indices of charged species.

Definition at line 157 of file m_chemistry.f90.

detachment_reaction

integer, parameter, public m_chemistry::detachment_reaction = 4

Identifier for detachment reactions.

Definition at line 20 of file m_chemistry.f90.

general_reaction

integer, parameter, public m_chemistry::general_reaction = 5

Identifier for general reactions (not of any particular type)

Definition at line 22 of file m_chemistry.f90.

ionization_reaction

integer, parameter, public m_chemistry::ionization_reaction = 1

Identifier for ionization reactions.

Definition at line 14 of file m_chemistry.f90.

n_gas_species

integer, public, protected m_chemistry::n_gas_species = 0

Number of gas species present.

Definition at line 127 of file m_chemistry.f90.

n_plasma_species

integer, public, protected m_chemistry::n_plasma_species = 0

Number of plasma species present.

Definition at line 130 of file m_chemistry.f90.

n_reactions

integer, public, protected m_chemistry::n_reactions = 0

Number of reactions present.

Definition at line 133 of file m_chemistry.f90.

n_species

integer, public, protected m_chemistry::n_species = 0

Number of species present.

Definition at line 124 of file m_chemistry.f90.

rate_tabulated_energy

integer, parameter m_chemistry::rate_tabulated_energy = 0

Reaction with a field-dependent reaction rate.

Definition at line 58 of file m_chemistry.f90.

reaction_names

character(len=20), dimension(*), parameter, public m_chemistry::reaction_names = [character(len=20) :: "ionization", "attachment", "recombination", "detachment", "general"]

Definition at line 24 of file m_chemistry.f90.

reactions

type(reaction_t), dimension(max_num_reactions), public, protected m_chemistry::reactions

List of reactions.

Definition at line 145 of file m_chemistry.f90.

recombination_reaction

integer, parameter, public m_chemistry::recombination_reaction = 3

Identifier for recombination reactions.

Definition at line 18 of file m_chemistry.f90.

species_charge

integer, dimension(max_num_species), public, protected m_chemistry::species_charge = 0

Charge of the species.

Definition at line 139 of file m_chemistry.f90.

species_itree

integer, dimension(max_num_species), public, protected m_chemistry::species_itree

species_itree(n) holds the index of species n in the tree (cell-centered variables)

Definition at line 142 of file m_chemistry.f90.

species_list

character(len=comp_len), dimension(max_num_species), public, protected m_chemistry::species_list

List of the species.

Definition at line 136 of file m_chemistry.f90.