Bibliographic Details
| Title: |
Multi-scale modelling of supercapacitors: From molecular simulations to a transmission line model. |
| Authors: |
Pean, C.1,2,3, Rotenberg, B.1,3, Simon, P.2,3, Salanne, M.1,3,4 mathieu.salanne@upmc.fr |
| Source: |
Journal of Power Sources. Sep2016, Vol. 326, p680-685. 6p. |
| Subjects: |
Supercapacitors, Molecular dynamics, Nanoporous materials, Acetonitrile, Non-equilibrium reactions, Electrochemical analysis |
| Abstract: |
We perform molecular dynamics simulations of a typical nanoporous-carbon based supercapacitor. The organic electrolyte consists in 1-ethyl-3-methylimidazolium and hexafluorophosphate ions dissolved in acetonitrile. We simulate systems at equilibrium, for various applied voltages. This allows us to determine the relevant thermodynamic (capacitance) and transport (in-pore resistivities) properties. These quantities are then injected in a transmission line model for testing its ability to predict the charging properties of the device. The results from this macroscopic model are in good agreement with non-equilibrium molecular dynamics simulations, which validates its use for interpreting electrochemical impedance experiments. [ABSTRACT FROM AUTHOR] |
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| Database: |
Engineering Source |
