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

• 作者: Chunshan Li Jianguo Qian Ruiyi Yan Xiangping Zhang Xiaomin Liu
• 来源期刊: 绿色能源与环境:英文版
• 学科: 数学
• 关键词: Solution-diffusion model NANOFILTRATION Long-alkyl-chain ionic liquid Molecular dynamic simulation ION CLUSTER
• 年，卷（期）: 2020,（1）
• 页码范围: 105-113
• 页数: 9页
• 分类号: O17

摘要

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: [C6 mim]Cl, [C8 mim]Cl, [C10 mim]Cl). The calculated values obtained from modified solution-diffusion model could well match the experimental values.