CVEC {EleChemr}

EC behaviour cyclic voltammetry simulator

Description

Return a graph I vs E of the electrochemical process

Usage

CVEC(
  Co = 0.001,
  Dx = 1e-05,
  Eo = 0,
  Dm = 0.45,
  Vi = 0.3,
  Vf = -0.3,
  Vs = 0.001,
  ko = 0.01,
  kc = 0.001,
  l = 100,
  alpha = 0.5,
  Temp = 298.15,
  n = 1,
  Area = 1,
  DerApprox = 2,
  errCheck = FALSE,
  Method = "Euler"
)

Arguments

Co

bulk concentration expressed in Molar

Dx

diffusion coefficient expressed in cm^2/s

Eo

reduction potential of the species expressed in Volt

Dm

simulation parameter, maximum 0.5 for explicit methods

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

ko

heterogeneous electron transfer rate constant expressed in m/s

kc

rate constant of the reaction Red -> C expressed in s^-1

l

number of time steps of the simulation

alpha

charge transfer coefficient

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

CVEC(Co = 0.001, DerApprox = 2, Dm = 0.45, kc = 0.00001, errCheck = FALSE, Method = "Euler")