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 and 2 more
Green Energy & Environment · 2020
doi:10.1016/j.gee.2018.10.001 (opens in a new tab)
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Abstract
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
Abstract licence: CC BY-NC-ND
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