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Modeling interfacia...
Modeling interfacial properties of ionic liquids with ePC-SAFT combined with density gradient theory
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- Sun, Yunhao (författare)
- Luleå tekniska universitet,Energivetenskap,State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China
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- Zuo, Zhida (författare)
- State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China
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- Shen, Gulou (författare)
- Department of Chemical Engineering, Jiangsu Provincial Engineering Laboratory for Advanced Materials of Salt Chemical Industry, Huaiyin Institute of Technology, Huaian, China
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- Held, Christoph (författare)
- Laboratory of Thermodynamics, Department of Biochemical and Chemical Engineering, TU Dortmund, Emil-Figge-Str. 70, 44227 Dortmund, Germany
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- Lu, Xiaohua (författare)
- State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China
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- Ji, Xiaoyan (författare)
- Luleå tekniska universitet,Energivetenskap
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(creator_code:org_t)
- Elsevier, 2021
- 2021
- Engelska.
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Ingår i: Fluid Phase Equilibria. - : Elsevier. - 0378-3812 .- 1879-0224. ; 536
- Relaterad länk:
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https://doi.org/10.1...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- In this work, ePC-SAFT-DGT (i.e., the coupling of ePC-SAFT with the density gradient theory (DGT)) was further developed by modifying the expression for estimating the chemical potential of IL ion-pair and extended to study the interfacial properties of 82 ionic liquids (ILs) containing one of the IL-cations ([Cnmim]+, [Cnpy]+, [Cnmpy]+, [Cnmpyr]+, and [THTDP]+) and one of the IL-anions ([Tf2N]−, [PF6]−, [BF4]−, [tfo]−, [DCA]−, [SCN]−, [C1SO4]−, [C2SO4]−, [eFAP]−, Cl−, [Ac]−, and Br−). The available experimental surface tensions for these 82 ILs from the literature have been surveyed and evaluated for adjusting the model parameters before the investigation. It shows that the modification results in more reasonable magnitude of influence parameters and ePC-SAFT-DGT can be used to represent the surface tension of ILs reliably compared with the experimental data. Furthermore, using the anion-specific influence parameters that are linearized with the molecular weight of the IL-cations for a homologous series of ILs allows semi-predicting (i.e., parameters obtained by interpolation and extrapolation) the surface tension for the ILs in the same homologous series. ePC-SAFT-DGT can be further used to predict other interfacial properties, for example, the density profile and interfacial thickness in the vapor-liquid interface.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Maskinteknik -- Energiteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Mechanical Engineering -- Energy Engineering (hsv//eng)
Nyckelord
- ePC-SAFT
- Density Gradient Theory
- Ionic Liquid
- Interfacial properties
- Surface tension data survey
- Energiteknik
- Energy Engineering
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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