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

  • Qian, Jianguo
  • Yan, Ruiyi
  • Liu, Xiaomin
  • Li, Chunshan
  • Zhang, Xiangping
Publication Date
Jan 01, 2020
Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
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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 Its 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: [C(6)mim]Cl, [C(8)mim]Cl, [C(10)mim]Cl). The calculated values obtained from modified solution-diffusion model could well match the experimental values. (C) 2020, Institute of Process Engineering, Chinese Academy of Sciences. Publishing services by Elsevier B.V. on behalf of KeAi Communications Co., Ltd.

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