CVEE {EleChemr}

EE behaviour cyclic voltammetry simulator

Description

Return a graph I vs E of the electrochemical process

Usage

CVEE(
  Co = 0.001,
  Dx1 = 1e-05,
  Eo1 = 0,
  Vi = 0.3,
  Vf = -0.3,
  Vs = 0.001,
  ko1 = 0.01,
  alpha1 = 0.5,
  Dred = 1e-05,
  Dred2 = 1e-05,
  Eo2 = 0,
  ko2 = 0.01,
  alpha2 = 0.5,
  Dm = 0.45,
  l = 100,
  Temp = 298.15,
  n = 1,
  Area = 1,
  DerApprox = 2,
  errCheck = FALSE,
  Method = "Euler"
)

Arguments

Co

bulk concentration expressed in Molar

Dx1

diffusion coefficient of the oxidized species expressed in cm^2/s

Eo1

reduction potential of the first electrochemical reaction expressed in Volt

Vi

initial potential of the sweep expressed in Volt

Vf

final potential of the sweep expressed in Volt

Vs

potential scan rate of the simulation expressed in V/s

ko1

heterogeneous electron transfer rate constant of the first electrochemical reaction expressed in m/s

alpha1

charge transfer coefficient of the first electrochemical reaction

Dred

diffusion coefficient of the first reduced species expressed in cm^2/s

Dred2

diffusion coefficient of the second reduced species expressed in cm^2/s

Eo2

reduction potential of the second electrochemical reaction expressed in Volt

ko2

heterogeneous electron transfer rate constant of the second electrochemical reaction expressed in m/s

alpha2

charge transfer coefficient of the second electrochemical reaction

Dm

simulation parameter, maximum 0.5 for explicit methods

l

number of time steps of the simulation

Temp

temperature in kelvin

n

number of electrons involved in the process

Area

area of the electrode expressed in cm^2

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

CVEE(Co = 0.001, DerApprox = 2, Dm = 0.45, errCheck = FALSE, Method = "Euler")
CVEE(Co = 0.001, Eo2 = -0.15, Dm = 0.45)