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EleChemr (version 1.1.0)

Electrochemical Reactions Simulation

Description

Digital simulation of electrochemical processes. Each function allows for implicit and explicit solution of the differential equation using methods like Euler, Backwards implicit, Runge Kutta 4, Crank Nicholson and Backward differentiation formula as well as different number of points for derivative approximation. Several electrochemical processes can be simulated such as: Chronoamperometry, Potential Step, Linear Sweep, Cyclic Voltammetry, Cyclic Voltammetry with electrochemical reaction followed by chemical reaction (EC mechanism) and CV with two following electrochemical reaction (EE mechanism). In update 1.1.0 has been added a general purpose CV function that allow to simulate up to 4 EE mechanism combined with chemical reaction for each species. Bibliography regarding this methods can be found in the following texts. Dieter Britz, Jorg Strutwolf (2016) . Allen J. Bard, Larry R. Faulkner (2000) .

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Version

Install

install.packages('EleChemr')

Monthly Downloads

183

Version

1.1.0

License

GPL-3

Maintainer

Federico Maria Vivaldi

Last Published

May 15th, 2019

Functions in EleChemr (1.1.0)

PotStep

Chrono amperometry with a finite step digital simulation
invMat

Inverse matrix
Derv

Derivative calculation of concentration profile
ZeroMat

Starting Matrix of reduces species and fluxes
Gen_CV

General Purpose CV simulation
OneMat

Starting Matrix of oxidazed species
ParCall

Parameters call
ChronAmp

Chrono amperometry digital simulation
CVEE

EE behaviour cyclic voltammetry simulator
LinSwp

Linear Sweep digitial simulation
CV

Cyclic voltammetry digitial simulation
CottrCheck

Cottrel current check for the Chronoamperometric simulation
CVEC

EC behaviour cyclic voltammetry simulator