module capi__kinetics
!! Kinetics: C API.
use stdlib_kinds, only: dp, int32
use iso_c_binding
use ecx__kinetics, only: bv, sbv, nernst
implicit none
private
contains
pure function capi_nernst(E0, z, aox, vox, nox, ared, vred, nred, T)result(E)bind(C, name="ecx_kinetics_nernst")
!! Compute the Nernst electrochemical potential in V.
implicit none
real(c_double), intent(in), value :: E0
!! Standard electrochemical potential in V.
integer(c_int), intent(in), value :: z
!! Number of exchanged electrons.
integer(c_size_t), intent(in), value :: nox
!! Number of oxidants.
integer(c_size_t), intent(in), value :: nred
!! Number of reductants.
real(c_double), intent(in) :: aox(nox)
!! Activities of the oxidants.
real(c_double), intent(in) :: vox(nox)
!! Coefficients for the oxidants.
real(c_double), intent(in) :: ared(nred)
!! Activities of the reductants
real(c_double), intent(in) :: vred(nred)
!! Coefficients for the reductants.
real(c_double), intent(in), value :: T
!! Temperature in °C.
real(c_double) :: E
E = nernst(E0, z, aox, vox, ared, vred, T)
end function
pure subroutine capi_sbv(U, OCV, j0, aa, ac, za, zc, A, T, I, n)bind(c, name="ecx_kinetics_sbv")
!! Compute Butler Volmer equation without mass transport.
! arguments
integer(c_size_t), intent(in), value :: n
!! Size of U and I.
real(c_double), intent(in), value :: OCV
!! Open circuit potential in volts.
real(c_double), intent(in) :: U(n)
!! Potential in volts.
real(c_double), intent(in), value :: j0
!! Exchange current density in A.cm-2.
real(c_double), intent(in), value :: aa
!! Anodic transfert coefficient.
real(c_double), intent(in), value :: ac
!! Cathodic transfert coefficient.
real(c_double), intent(in), value :: za
!! Number of exchanged electrons in anodic branch.
real(c_double), intent(in), value :: zc
!! Number of exchanged electrons in cathodic branch.
real(c_double), intent(in), value :: A
!! Area in cm2.
real(c_double), intent(in), value :: T
!! Temperature in °C.
real(c_double), intent(out) :: I(n)
!! Current in A.
I = sbv(U, OCV, j0, aa, ac, za, zc, A, T)
end subroutine
pure subroutine capi_bv(U, OCV, j0, jdla, jdlc, aa, ac, za, zc, A, T, I, n)bind(c, name="ecx_kinetics_bv")
!! Compute Butler Volmer equation without mass transport.
! arguments
integer(c_size_t), intent(in), value :: n
!! Size of U and I.
real(c_double), intent(in), value :: OCV
!! Open circuit potential in volts.
real(c_double), intent(in) :: U(n)
!! Potential in volts.
real(c_double), intent(in), value :: j0
!! Exchange current density in A.cm-2
real(c_double), intent(in), value :: jdla
!! Anodic diffusion limiting current density in A.cm-2.
real(c_double), intent(in), value :: jdlc
!! Cathodic diffusion limiting current density in A.cm-2.
real(c_double), intent(in), value :: aa
!! Anodic transfert coefficient.
real(c_double), intent(in), value :: ac
!! Cathodic transfert coefficient.
real(c_double), intent(in), value :: za
!! Number of exchanged electrons in anodic branch.
real(c_double), intent(in), value :: zc
!! Number of exchanged electrons in cathodic branch.
real(c_double), intent(in), value :: A
!! Area in cm2.
real(c_double), intent(in), value :: T
!! Temperature in °C.
real(c_double), intent(out) :: I(n)
!! Current in A.
I = bv(U, OCV, j0, jdla, jdlc, aa, ac, za, zc, A, T)
end subroutine
end module
