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EleChemr (version 1.2.0)

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.Update 1.2.0 improved the accuracy of the measurements and allow personalized data resolution for simulation. 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

203

Version

1.2.0

License

GPL-3

Maintainer

Federico Maria Vivaldi

Last Published

February 9th, 2021

Functions in EleChemr (1.2.0)

OneMat

Starting Matrix of oxidazed species
ParCall

Parameters call
invMat

Inverse matrix
CV

Cyclic voltammetry digitial simulation
CVEC

EC behaviour cyclic voltammetry simulator
CVEE

EE behaviour cyclic voltammetry simulator
ChronAmp

Chrono amperometry digital simulation
LinSwp

Linear Sweep digitial simulation
Gen_CV

General Purpose CV simulation
PotStep

Chrono amperometry with a finite step digital simulation
CottrCheck

Cottrel current check for the Chronoamperometric simulation
Derv

Derivative calculation of concentration profile
ZeroMat

Starting Matrix of reduces species and fluxes