Module for handling chemical reactions. More...

Functions/Subroutines
subroutine, public	chemistry_initialize (tree, cfg)
	Initialize module and load chemical reactions. More...

subroutine	chemistry_modify_rates (cfg)
	Modify reaction rates for sensitivity analysis. More...

subroutine, public	chemistry_write_summary (fname)
	Write a summary of the reactions (TODO) and the ionization and attachment coefficients (if working at constant pressure) More...

subroutine	check_charge_conservation ()

subroutine, public	chemistry_get_breakdown_field (field_td, min_growth_rate)
	Get the breakdown field in Townsend. More...

subroutine, public	get_rates (fields, rates, n_cells, energy_eV)
	Compute reaction rates. More...

subroutine, public	get_derivatives (dens, rates, derivs, n_cells)
	Compute derivatives due to chemical reactions. Note that the 'rates' argument is modified. More...

subroutine, public	read_reactions (filename, read_success)
	Read reactions from a file. More...

subroutine	parse_reaction (reaction_text, reaction, ignored_species, keep_reaction)
	Parse a reaction and store it. More...

elemental integer function, public	species_index (name)
	Find index of a species, return -1 if not found. More...

Variables
integer, parameter, public	ionization_reaction = 1
	Identifier for ionization reactions. More...

integer, parameter, public	attachment_reaction = 2
	Identifier for attachment reactions. More...

integer, parameter, public	recombination_reaction = 3
	Identifier for recombination reactions. More...

integer, parameter, public	detachment_reaction = 4
	Identifier for detachment reactions. More...

integer, parameter, public	general_reaction = 5
	Identifier for general reactions (not of any particular type) More...

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

integer, public, protected	n_species = 0
	Number of species present. More...

integer, public, protected	n_gas_species = 0
	Number of gas species present. More...

integer, public, protected	n_plasma_species = 0
	Number of plasma species present. More...

integer, public, protected	n_reactions = 0
	Number of reactions present. More...

character(len=comp_len), dimension(max_num_species), public, protected	species_list
	List of the species. More...

integer, dimension(max_num_species), public, protected	species_charge = 0
	Charge of the species. More...

integer, dimension(max_num_species), public, protected	species_itree
	species_itree(n) holds the index of species n in the tree (cell-centered variables) More...

type(reaction_t), dimension(max_num_reactions), public, protected	reactions
	List of reactions. More...

integer, dimension(:), allocatable, public, protected	charged_species_itree
	List with indices of charged species. More...

integer, dimension(:), allocatable, public, protected	charged_species_charge
	List with charges of charged species. More...

Detailed Description

Module for handling chemical reactions.

Function/Subroutine Documentation

◆ check_charge_conservation()

subroutine m_chemistry::check_charge_conservation

Definition at line 503 of file m_chemistry.f90.

◆ 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_modify_rates()

subroutine m_chemistry::chemistry_modify_rates ( type(cfg_t), intent(inout) cfg )

Modify reaction rates for sensitivity analysis.

Definition at line 390 of file m_chemistry.f90.

◆ 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.

◆ parse_reaction()

subroutine m_chemistry::parse_reaction	(	character(len=*), intent(in)	reaction_text,
		type(reaction_t), intent(out)	reaction,
		character(len=comp_len), dimension(:), intent(in)	ignored_species,
		logical, intent(out)	keep_reaction
	)

Parse a reaction and store it.

Definition at line 1036 of file m_chemistry.f90.

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◆ 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.

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.

◆ 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.

Functions/Subroutines

Variables

Detailed Description

Function/Subroutine Documentation

◆ check_charge_conservation()

◆ chemistry_get_breakdown_field()

◆ chemistry_initialize()

◆ chemistry_modify_rates()

◆ chemistry_write_summary()

◆ get_derivatives()

◆ get_rates()

◆ parse_reaction()

◆ read_reactions()

◆ species_index()

Variable Documentation

◆ attachment_reaction

◆ charged_species_charge

◆ charged_species_itree

◆ detachment_reaction

◆ general_reaction

◆ ionization_reaction

◆ n_gas_species

◆ n_plasma_species

◆ n_reactions

◆ n_species

◆ reaction_names

◆ reactions

◆ recombination_reaction

◆ species_charge

◆ species_itree

◆ species_list