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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.