Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 246, Issue -, Pages 325-331Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molliq.2017.09.077
Keywords
Density functional theory; Electrical double layer; Ionic liquid; SAFE-VR equation of state; Surface electrical potential
Funding
- University of Tehran Research Council [UT-6-12-92]
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A classical density functional theory has been used to study the structure and phase behavior of the electrical double layer of a dense ionic liquid. The model for IL consists of a trimer cation (with a charged head and two neutral segments) and a monomer anion. The effect of dispersion interactions on the density profile and differential capacitance curve has been investigated. Increasing the contribution of dispersion interactions leads to a camel shape differential capacitance curve. In the case of bell-shape curve, the maximum of the differential capacitance increases with decreasing the dispersion forces. These observations are related to the depletion or accumulation of ions near electrode with zero or low surface charge density. (C) 2017 Elsevier B.V. All rights reserved.
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