Coarse-grained simulations of an ionic liquid-based capacitor: I. Density, ion size, and valency effects

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F14%3A10218524" target="_blank" >RIV/00216208:11310/14:10218524 - isvavai.cz</a>
Result on the web
<a href="http://iopscience.iop.org/0953-8984/26/28/284108/pdf/0953-8984_26_28_284108.pdf" target="_blank" >http://iopscience.iop.org/0953-8984/26/28/284108/pdf/0953-8984_26_28_284108.pdf</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1088/0953-8984/26/28/284108" target="_blank" >10.1088/0953-8984/26/28/284108</a>

Result language
angličtina
Original language name
Coarse-grained simulations of an ionic liquid-based capacitor: I. Density, ion size, and valency effects
Original language description
We introduce a hierarchy of generic coarse-grained models of ionic liquids of increasing complexity. We use them in molecular dynamics simulations to study the differential capacitance of a capacitor consisting of an ionic liquid between two planar electrodes. The primary goal is to explain the complex dependence of the differential capacitance C-d on the electrode potential U in simple terms, e.g. in terms of the size and valency of the ions. For this purpose we introduce the symmetric model A, which qualitatively reproduces the C-d(U) dependence predicted by the mean-field theory but also reveals strong quantitative deviations. We further introduce size asymmetry in model A by increasing the cation size. In model B we vary the cation valency, keepingthe sizes of both ions constant. We show that simultaneous increases in size and valency may compensate for each other, leading to a C-d(U) very similar to that for the symmetric case. We interpret distinct features in C-d(U) on the basi
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/LK21302" target="_blank" >LK21302: Interactions and dynamics in polymer nanostructures</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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