Module computing chemistry. More...

Public Member Functions
subroutine	chemistry (ion_n, neutre, ialt, itube)
	Inspired from reac_fillmatrix. More...

subroutine	compute_rrate (rtype, ncoeff, coeff, T, P, k_r)
	Calculates the reaction rate for a given reaction type. More...

subroutine	get_third_spec (sp, ptr, nnr, nr, nnu, nu, nc, idx)
	Gives the concentration of the third reactant in a 3-species reaction. More...

subroutine	print_bilan_reaction (fid, sp, re, ptr, x_kr, x_n1, x_n2, x_to, x_T)

Detailed Description

Module computing chemistry.

Module computing chemistry

Member Function/Subroutine Documentation

subroutine module_chimie::chemistry	(	type(espece), dimension(:), intent(in)	ion_n,
		real*8, dimension(:), intent(in)	neutre,
		integer, intent(in)	ialt,
		integer, intent(in)	itube
	)

Inspired from reac_fillmatrix.

Parameters

[in]	itube	Local temperature
[in]	itube	Local pressure
[in]	itube	Concentrations of the resolved species
[in]	itube	Concentrations of the non resolved species

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subroutine module_chimie::compute_rrate	(	rtype,
		ncoeff,
		coeff,
		T,
		P,
		k_r
	)

Calculates the reaction rate for a given reaction type.

: The following are the reactions available:
$\begin{eqnarray*} A &:&k_r=A*10^{B} \\\ B &:&k_r=A*10^{B}\left(\frac{C}{T}\right)^D \\\ B2&:&k_r=A*10^{B}\left(\frac{C}{T}\right)^D \\\ C &:&k_r=A*10^{B}e^{\frac{C}{T}} \\\ D &:&k_r=A*10^{B}T^Ce^{\frac{D}{T}} \\\ E &:&k_r=A*10^{B}\left(\frac{C}{T}\right)^De^{\frac{E}{T}} \\\ F &:&k_r=A*10^{B}(1+C.P) \\\ G &:&k_r=A*10^{B}\left(\frac{T}{C}\right)^D \\\ G2&:&k_r=A*10^{B}\left(\frac{T}{C}\right)^D \end{eqnarray*}$

Additional included functions:

H: Is the same as 'B' but for two temperature ranges. The first coefficient corresponds to the threshold temperature.
I: Is the same as 'G' but for two temperature ranges. The first coefficient corresponds to the threshold temperature.
P#: Correspond to specially included polynomials for specific reactions. The first coefficient corresponds to the activation temperature of the reaction.

Todo:: Find a better generic way to treat polynomials with temperature ranges

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subroutine module_chimie::get_third_spec	(	type(spec)	sp,
		type(one_reaction), pointer	ptr,
			nnr,
			nr,
			nnu,
			nu,
			nc,
			idx
	)

Gives the concentration of the third reactant in a 3-species reaction.

: If there is no third reactant, the output is 1. If the 3rd reactant is a catalytic species "M" then the concentration of species N2 and O2 are added and the resulting value is returned.

Parameters

sp	Pointer to the current species list
ptr	Pointer to the current reaction
ptr	Number of reactants in the reaction
ptr	Number of species resolved in the code
ptr	Number of species non-resolved (given by a model)
ptr	Concentations of the resolved species
ptr	Concentration of the non-resolved species
ptr	Ouput value [ 1:No 3rd reactant \| nc:concentration of the 3rd reactant ]
ptr	Index of the 3rd reactant

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The documentation for this module was generated from the following file: