ecx__kinetics Module

Module for computing kinetics using the Butler-Volmer equations.

Uses

- ecx__core
- stdlib_kinds
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Used by

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Graph Key

Nodes of different colours represent the following:

Solid arrows point from a submodule to the (sub)module which it is descended from. Dashed arrows point from a module or program unit to modules which it uses.
Where possible, edges connecting nodes are given different colours to make them easier to distinguish in large graphs.

Functions

public pure elemental function bv(U, OCV, j0, jdla, jdlc, aa, ac, za, zc, A, T) result(I)

Compute Butler Volmer equation with mass transport.

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	U	Electrochemical potential in V.
real(kind=dp),	intent(in)			::	OCV	Open Circuit Voltage in V.
real(kind=dp),	intent(in)			::	j0	Exchange current density in A.cm-2.
real(kind=dp),	intent(in)			::	jdla	Anodic diffusion limiting current density in A.cm-2.
real(kind=dp),	intent(in)			::	jdlc	Cathodic diffusion limiting current density in A.cm-2.
real(kind=dp),	intent(in)			::	aa	Anodic transfer coefficient.
real(kind=dp),	intent(in)			::	ac	Cathodic transfer coefficient.
real(kind=dp),	intent(in)			::	za	Number of exchnaged electrons in the anodic branch.
real(kind=dp),	intent(in)			::	zc	Number of exchnaged electrons in the cathodic branch.
real(kind=dp),	intent(in)			::	A	Area in cm2.
real(kind=dp),	intent(in)			::	T	Temperature in °C.

Return Value real(kind=dp)

public pure function nernst(E0, z, aox, vox, ared, vred, T) result(E)

Compute the Nernst electrochemical potential in V.

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	E0	Standard electrochemical potential in V.
integer(kind=int32),	intent(in)			::	z	Number of exchanged electrons.
real(kind=dp),	intent(in)			::	aox(:)	Activities of the oxidants.
real(kind=dp),	intent(in)			::	vox(:)	Coefficients for the oxidants.
real(kind=dp),	intent(in)			::	ared(:)	Activities of the reductants
real(kind=dp),	intent(in)			::	vred(:)	Coefficients for the reductants.
real(kind=dp),	intent(in)			::	T	Temperature in °C.

Return Value real(kind=dp)

public pure elemental function sbv(U, OCV, j0, aa, ac, za, zc, A, T) result(I)

Compute Butler Volmer equation without mass transport.

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	U	Electrochemical potential in V.
real(kind=dp),	intent(in)			::	OCV	Open Circuit Voltage in V.
real(kind=dp),	intent(in)			::	j0	Exchange current density in A.cm-2.
real(kind=dp),	intent(in)			::	aa	Anodic transfer coefficient.
real(kind=dp),	intent(in)			::	ac	Cathodic transfer coefficient.
real(kind=dp),	intent(in)			::	za	Number of exchnaged electrons in the anodic branch.
real(kind=dp),	intent(in)			::	zc	Number of exchnaged electrons in the cathodic branch.
real(kind=dp),	intent(in)			::	A	Area in cm2.
real(kind=dp),	intent(in)			::	T	Temperature in °C.

Return Value real(kind=dp)