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License: MIT License
Python Cyclic Voltammetry Simulator based on MECSim
License: MIT License
Currently the api involves initiating a mechanism with seperate lists of species and reactions. Species can be obtained from the mechanism. So we change the api to the following:
A = Specie('A', C0=1e-6)
B = Specie('B')
C = Specie('C')
D = Specie('D')
R1 = ChargeTransfer([(A,1),('e',1)],[(B,1)],E0=0.0, ks=1.0e1)
R2 = ChemicalReaction([(B,1),(C,1)],[(A,1),(D,1)], kf=1e8, kb=1e-5)
A reaction now takes tuple of the form (specie, coefficient)
instead of dictionary with {'specie.name':coefficient}
.
A mechanism can now be initiated by just passing the list of reactions as follows:
rxn = [R1, R2]
mech = Mechanism(rxn)
Also few performances issues needs to be addressed:
Line 214 in 2ea3be3
The way the package is set up works only with Linux (this is mainly a drawback from the MECSim). Make this explicit in the installation.
matplotlib
as a dependencysim.solve()
in the readme exampleThis is simply because the subprocess
call can't locate the MECSIM
binary file
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