Evaluation of the effect of silica nanoparticles, temperature and pressure on the performance of PSF/PEG/SiO2 mixed matrix membranes: A molecular dynamics simulation (MD) and design of experiments (DOE) study

Iman Salahshoori,Ahmad Seyfaee,Aziz Babapoor,Frances Neville,Roberto Moreno-Atanasio

Journal of Molecular Liquids（2021）

引用 32|浏览5

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摘要

•MD and MC simulations were used to investigate the transport properties of MMMs.•D-Optimal was utilized to optimize the temperature, pressure and silica content.•Temperature and silica content had a more significant impact on MMMs than pressure.

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关键词

Molecular dynamics,Design of experiment,Mixed matrix membranes,Silica nanoparticles

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