Gen_CV {EleChemr}

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,
  alpha2 = 0.5,
  Dm = 0.45,
  Dred3 = 1e-05,
  Eo3 = 0,
  kc3 = 0,
  ko3 = 0,
  alpha3 = 0.5,
  Dred4 = 1e-05,
  Eo4 = 0,
  kc4 = 0,
  ko4 = 0,
  alpha4 = 0.5,
  Temp = 298.15,
  n = 1,
  Area = 1,
  l = 100,
  DerApprox = 2,
  errCheck = FALSE,
  Method = "Euler"
)

Arguments

Co

bulk concentration oxidated speciesexpressed in Molar

Cred

bulk concentration of reduced species expressed in Molar

kco

Chemical rate constant for Ox Species expressed in s^-1

Dx1

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

Eo1

reduction potential of the first electrochemical reaction expressed in Volt

kc1

Chemical rate constant for Red Species expressed in s^-1

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

kc2

Chemical rate constant for second Red Species expressed in s^-1

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

Dred3

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

Eo3

reduction potential of the third electrochemical reaction expressed in Volt

kc3

Chemical rate constant for third Red Species expressed in s^-1

ko3

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

alpha3

charge transfer coefficient of the third electrochemical reaction

Dred4

diffusion coefficient of the fourth reduced species cm^2/s

Eo4

reduction potential of the fourth electrochemical reaction expressed in Volt

kc4

Chemical rate constant for fourth Red Species expressed in s^-1

ko4

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

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 expressed in cm^2

l

number of time steps of the simulation

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

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)