CVEE: EE behaviour cyclic voltammetry simulator

In EleChemr: Electrochemical Reactions Simulation

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)

EleChemr documentation built on Feb. 9, 2021, 5:05 p.m.