Fortran#

FORD documentation

ecx (module)#

Main module for ecx.

ecx__api (module)#

API

Procedures

get_version (function)#

function get_version() -> fptr

Get the version.

Returns:

fptrcharacter(len=:), pointer: Version of the library.

kTe (function)#

pure elemental function kTe(T) -> r

Compute the thermal voltage.

Arguments:

Treal(dp), intent(in): Temperature in °C.

Returns:

rreal(dp): Thermal voltage in V.

z (subroutine)#

subroutine z(p, w, zout, e, errstat, errmsg)

Arguments:

preal(dp), intent(in), dimension(:)
wreal(dp), intent(in), dimension(:): Angular frequencies in rad.s-1
zoutcomplex(dp), intent(out), dimension(:): Complex impedance in Ohms.
echaracter(len=1), intent(in): Electrochemical element: R, C, L, Q, O, T, G
errstatinteger(int32), intent(out): Error status
errmsgcharacter(len=:), intent(out), pointer: Error message

mm (subroutine)#

subroutine mm(p, w, zout, n)

Arguments:

preal(dp), intent(in), dimension(:): Compute the measurement model.
wreal(dp), intent(in), dimension(:): Parameters.
zoutcomplex(dp), intent(out), dimension(:): Angular frequencies in rad.s-1
ninteger(int32), intent(in): Complex impedance in Ohms.

nernst (function)#

pure function nernst(E0, z, aox, vox, ared, vred, T) -> E

Compute the Nernst electrochemical potential in V.

Arguments:

E0real(dp), intent(in)
zinteger(int32), intent(in): Standard electrochemical potential in V.
aoxreal(dp), intent(in), dimension(:): Number of exchanged electrons.
voxreal(dp), intent(in), dimension(:): Activities of the oxidants.
aredreal(dp), intent(in), dimension(:): Coefficients for the oxidants.
vredreal(dp), intent(in), dimension(:): Activities of the reductants
Treal(dp), intent(in): Coefficients for the reductants.

Returns:

Ereal(dp): Temperature in °C.

sbv (function)#

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

Arguments:

Ureal(dp), intent(in): Open Circuit Voltage in V.
OCVreal(dp), intent(in): Compute Butler Volmer equation without mass transport.
j0real(dp), intent(in): Electrochemical potential in V.
aareal(dp), intent(in): Exchange current density in A.cm-2.
acreal(dp), intent(in): Anodic transfer coefficient.
zareal(dp), intent(in): Cathodic transfer coefficient.
zcreal(dp), intent(in): Number of exchnaged electrons in the anodic branch.
Areal(dp), intent(in): Number of exchnaged electrons in the cathodic branch.
Treal(dp), intent(in): Area in cm2.

Returns:

Ireal(dp): Temperature in °C.

bv (function)#

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

Compute Butler Volmer equation with mass transport.

Arguments:

Ureal(dp), intent(in): Open Circuit Voltage in V.
OCVreal(dp), intent(in)
j0real(dp), intent(in): Electrochemical potential in V.
jdlareal(dp), intent(in): Exchange current density in A.cm-2.
jdlcreal(dp), intent(in): Anodic diffusion limiting current density in A.cm-2.
aareal(dp), intent(in): Cathodic diffusion limiting current density in A.cm-2.
acreal(dp), intent(in): Anodic transfer coefficient.
zareal(dp), intent(in): Cathodic transfer coefficient.
zcreal(dp), intent(in): Number of exchnaged electrons in the anodic branch.
Areal(dp), intent(in): Number of exchnaged electrons in the cathodic branch.
Treal(dp), intent(in): Area in cm2.

Returns:

Ireal(dp): Temperature in °C.

ecx__capi (module)#

Procedures

capi_get_version (function)#

function capi_get_version()bind(c, name="ecx_get_version") -> cptr

C API - Get the version.

Returns:

cptrtype(c_ptr)

capi_nm2eV (subroutine)#

pure subroutine capi_nm2eV(lambda, E, n)bind(C, name="ecx_core_nm2eV")

Arguments:

lambdareal(c_double), intent(in), dimension(n): Wavelength in nm.
Ereal(c_double), intent(out), dimension(n): Energy in eV.
ninteger(c_size_t), intent(in), value: Size of lambda and E.

capi_kTe (subroutine)#

pure subroutine capi_kTe(T, kTe_, n)bind(C, name="ecx_core_kTe")

Arguments:

Treal(c_double), intent(in), dimension(n): Temperature in °C.
kTe_real(c_double), intent(out), dimension(n): Thermal voltage in V.
ninteger(c_size_t), intent(in), value: Size of T and kTe.

capi_z (subroutine)#

subroutine capi_z(p, w, zout, e, k, n, errstat, errmsg)bind(C, name="ecx_eis_z")

Arguments:

preal(c_double), intent(in), dimension(k): Parameters.
wreal(c_double), intent(in), dimension(n): Angular frequencies in rad.s-1
zoutcomplex(c_double_complex), intent(out), dimension(n): Complex impedance in Ohms.
echaracter(len=1,kind=c_char), intent(in), value: Electrochemical element: R, C, L, Q, O, T, G
kinteger(c_size_t), intent(in), value: Size of p
ninteger(c_size_t), intent(in), value: Size of w
errstatinteger(c_int), intent(out): Error status
errmsgtype(c_ptr), intent(out): errmsg Error message

capi_nernst (function)#

pure function capi_nernst(E0, z, aox, vox, nox, ared, vred, nred, T)bind(C, name="ecx_kinetics_nernst") -> E

Compute the Nernst electrochemical potential in V.

Arguments:

E0real(c_double), intent(in), value
zinteger(c_int), intent(in), value: Standard electrochemical potential in V.
aoxreal(c_double), intent(in), dimension(nox): Number of reductants.
voxreal(c_double), intent(in), dimension(nox): Activities of the oxidants.
noxinteger(c_size_t), intent(in), value: Number of exchanged electrons.
aredreal(c_double), intent(in), dimension(nred): Coefficients for the oxidants.
vredreal(c_double), intent(in), dimension(nred): Activities of the reductants
nredinteger(c_size_t), intent(in), value: Number of oxidants.
Treal(c_double), intent(in), value: Coefficients for the reductants.

Returns:

Ereal(c_double): Temperature in °C.

capi_sbv (subroutine)#

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:

Ureal(c_double), intent(in), dimension(n): Open circuit potential in volts.
OCVreal(c_double), intent(in), value: Size of U and I.
j0real(c_double), intent(in), value: Potential in volts.
aareal(c_double), intent(in), value: Exchange current density in A.cm-2.
acreal(c_double), intent(in), value: Anodic transfert coefficient.
zareal(c_double), intent(in), value: Cathodic transfert coefficient.
zcreal(c_double), intent(in), value: Number of exchanged electrons in anodic branch.
Areal(c_double), intent(in), value: Number of exchanged electrons in cathodic branch.
Treal(c_double), intent(in), value: Area in cm2.
Ireal(c_double), intent(out), dimension(n): Temperature in °C.
ninteger(c_size_t), intent(in), value

capi_bv (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:

Ureal(c_double), intent(in), dimension(n): Open circuit potential in volts.
OCVreal(c_double), intent(in), value: Size of U and I.
j0real(c_double), intent(in), value: Potential in volts.
jdlareal(c_double), intent(in), value: Exchange current density in A.cm-2
jdlcreal(c_double), intent(in), value: Anodic diffusion limiting current density in A.cm-2.
aareal(c_double), intent(in), value: Cathodic diffusion limiting current density in A.cm-2.
acreal(c_double), intent(in), value: Anodic transfert coefficient.
zareal(c_double), intent(in), value: Cathodic transfert coefficient.
zcreal(c_double), intent(in), value: Number of exchanged electrons in anodic branch.
Areal(c_double), intent(in), value: Number of exchanged electrons in cathodic branch.
Treal(c_double), intent(in), value: Area in cm2.
Ireal(c_double), intent(out), dimension(n): Temperature in °C.
ninteger(c_size_t), intent(in), value