onr:"swepub:oai:DiVA.org:ltu-78779"
Search: onr:"swepub:oai:DiVA.org:ltu-78779" > Interfacial structu...
- 1 of 1
- Previous record
- Next record
- To hitlist
Interfacial structure and differential capacitance of ionic liquid/graphite interface : A perturbed-chain SAFT density functional theory study
-
- Shen, Gulou (author)
- National & Local Joint Engineering Research Center for Deep Utilization Technology of Rock-salt Resource, Faculty of Chemical Engineering, Huaiyin Institute of Technology, Huaian 223003, China
-
- Sun, Yunhao (author)
- Luleå tekniska universitet,Energivetenskap,State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, China
-
- Wang, Yu (author)
- National & Local Joint Engineering Research Center for Deep Utilization Technology of Rock-salt Resource, Faculty of Chemical Engineering, Huaiyin Institute of Technology, Huaian 223003, China
- show more...
- show less...
- (creator_code:org_t)
- Elsevier, 2020
- 2020
- English.
- In: Journal of Molecular Liquids. - : Elsevier. - 0167-7322 .- 1873-3166. ; 310
- Journal article (peer-reviewed)
Abstract
Subject headings
Close
- The perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state (EoS) was combined with the electrostatic free energy from the mean spherical approximation (MSA) theory, and applied to represent densities of pure imidazolium ionic liquids (ILs) with anion [BF4]−. The PC-SAFT parameters of cations were linearized with their molar mass and obtained by simultaneously fitting the model predictions to experimental densities of some ILs. The PC-SAFT-MSA model provides accurate correlations and predictions of densities comparing with experimental data. Then a classical density functional theory (DFT) was developed based on PC-SAFT-MSA. The DFT model was applied to explore the structure and differential capacitance of the electrical double layer (EDL) in ILs on graphite. The model predicts similar density profiles for both cation and anion on a neutral surface, and layered structure with alternating layers of cations and anions on a charged surface. The charge inversion phenomena were also studied based on ion distributions. We further studied the effects of the alkyl chain length, temperature and non-electrostatic solid-fluid interactions on the differential capacitance of the EDL. The model provides bell-shaped differential capacitance curves. The peak positions of differential capacitance curves shift toward positive potentials as ions size asymmetry increases in agreement with previous experiments and simulations studies. The maximum capacitance decreases with increasing alkyl chain length as well as increasing temperature.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Maskinteknik -- Energiteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Mechanical Engineering -- Energy Engineering (hsv//eng)
Keyword
- Ionic liquid
- Differential capacitance
- Electrical double layer
- PC-SAFT
- Density functional theory
- Energiteknik
- Energy Engineering
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
- Journal of Molecular Liquids (Search for host publication in LIBRIS)
To the university's database
- 1 of 1
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Shen, Gulou
- Sun, Yunhao
- Wang, Yu
- Lu, Xiaohua
- Ji, Xiaoyan
- About the subject
-
- ENGINEERING AND TECHNOLOGY
- ENGINEERING AND ...
- and Mechanical Engin ...
- and Energy Engineeri ...
- Articles in the publication
- Journal of Molec ...
- By the university
- Luleå University of Technology
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
