Modification to solution-diffusion model for performance prediction of nanofiltration of long-alkyl-chain ionic liquids aqueous solutions based on ion cluster

Jianguo Qian; Ruiyi Yan; Xiaomin Liu; Chunshan Li; Xiangping Zhang

Green Energy & Environment (Jan 2020)

Modification to solution-diffusion model for performance prediction of nanofiltration of long-alkyl-chain ionic liquids aqueous solutions based on ion cluster

Jianguo Qian,
Ruiyi Yan,
Xiaomin Liu,
Chunshan Li,
Xiangping Zhang

Affiliations

Jianguo Qian: Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China; College of Chemistry and Chemical Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China
Ruiyi Yan: Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China
Xiaomin Liu: Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China
Chunshan Li: Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China; Corresponding authors.
Xiangping Zhang: Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China; Corresponding authors.

Journal volume & issue: Vol. 5, no. 1
pp. 105 – 113

Abstract

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Mathematical modeling for nanofiltration of ionic liquids (ILs) solutions could assist to understand transfer mechanism and predict experimental values. In this work, modeling by solution-diffusion model for nanofiltration of long-alkyl-chain ILs aqueous solutions was proposed. Molecular simulations were performed to validate the existence of ion cluster in long-alkyl-chain ILs aqueous solution. Based on the results of simulations, parameters used in the solution-diffusion model were modified, such as concentration of ILs and diameter of ion cluster. The modeling process was developed for three long-alkyl-chain ILs aqueous solutions with different concentrations (1-alkyl-3-methylimidazolium chloride: [C6mim]Cl, [C8mim]Cl, [C10mim]Cl). The calculated values obtained from modified solution-diffusion model could well match the experimental values. Keywords: Solution-diffusion model, Nanofiltration, Long-alkyl-chain ionic liquid, Molecular dynamic simulation, Ion cluster

Published in Green Energy & Environment

ISSN: 2468-0257 (Online)
Publisher: KeAi Communications Co., Ltd.
Country of publisher: China
LCC subjects: Technology: Mechanical engineering and machinery: Renewable energy sources; Science: Biology (General): Ecology
Website: https://www.keaipublishing.com/en/journals/green-energy-and-environment/

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