EleChemr v1.1.0


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Electrochemical Reactions Simulation

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) <ISBN:978-3-319-30292-8>. Allen J. Bard, Larry R. Faulkner (2000) <ISBN:978-0-471-04372-0>.

Functions in EleChemr

Name Description
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
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License GPL-3
Encoding UTF-8
LazyData true
RoxygenNote 6.1.1
NeedsCompilation no
Packaged 2019-05-15 20:48:29 UTC; federico
Repository CRAN
Date/Publication 2019-05-15 21:10:22 UTC
imports ggplot2

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