EleChemr (version 1.1.0)

Gen_CV: General Purpose CV simulation

Description

Return a graph I vs E of the electrochemical process, up to 4 EE mechanisms and CE mechanisms can be simulated

Usage

Gen_CV(Co = 0.001, Cred = 0, kco = 0, Dx1 = 1e-05, Eo1 = 0,
  kc1 = 0, Vi = 0.3, Vf = -0.3, Vs = 0.001, ko1 = 0.01,
  alpha1 = 0.5, Dred = 1e-05, Dred2 = 1e-05, Eo2 = 0, kc2 = 0,
  ko2 = 0.01, alpha2 = 0.5, Dm = 0.45, Dred3 = 1e-05, Eo3 = 0,
  kc3 = 0, ko3 = 0.01, alpha3 = 0.5, Dred4 = 1e-05, Eo4 = 0,
  kc4 = 0, ko4 = 0.01, alpha4 = 0.5, Temp = 298.15, n = 1,
  Area = 1, DerApprox = 2, errCheck = FALSE, Method = "Euler")

Arguments

Co

bulk concentration

Cred

bulk concentration

kco

Chemical rate constant for Ox Species

Dx1

diffusion coefficient of the oxidized species

Eo1

reduction potential of the first electrochemical reaction

kc1

Chemical rate constant for Red Species

Vi

initial potential of the sweep

Vf

final potential of the sweep

Vs

potential scan rate of the simulation

ko1

heterogeneous electron transfer rate constant of the first electrochemical reaction

alpha1

charge transfer coefficient of the first electrochemical reaction

Dred

diffusion coefficient of the first reduced species

Dred2

diffusion coefficient of the second reduced species

Eo2

reduction potential of the second electrochemical reaction

kc2

Chemical rate constant for second Red Species

ko2

heterogeneous electron transfer rate constant of the second electrochemical reaction

alpha2

charge transfer coefficient of the second electrochemical reaction

Dm

simulation parameter, maximum 0.5 for explicit methods

Dred3

diffusion coefficient of the third reduced species

Eo3

reduction potential of the third electrochemical reaction

kc3

Chemical rate constant for third Red Species

ko3

heterogeneous electron transfer rate constant of the third electrochemical reaction

alpha3

charge transfer coefficient of the third electrochemical reaction

Dred4

diffusion coefficient of the fourth reduced species

Eo4

reduction potential of the fourth electrochemical reaction

kc4

Chemical rate constant for fourth Red Species

ko4

heterogeneous electron transfer rate constant of the fourth electrochemical reaction

alpha4

charge transfer coefficient of the fourth electrochemical reaction

Temp

temperature in kelvin

n

number of electrons involved in the process

Area

area of the electrode

DerApprox

number of point for the approximation of the first derivative

errCheck

if true the function returns a list with parameters for CottrCheck function

Method

method to be used for the simulation = "Euler" "BI" "RK4" "CN "BDF"

Value

if errCheck == F a graph I vs E, if errCheck == T a list

Examples

# NOT RUN {
Gen_CV(Co = 0.001, DerApprox = 2, Dm = 0.45, errCheck = FALSE, Method = "Euler")
Gen_CV(Co = 0.001, Eo2 = -0.15, Dm = 0.45, kc1 = 0.0001)

# }