https://scholars.lib.ntu.edu.tw/handle/123456789/631393
標題: | Molecular modelling and simulation of membrane formation | 作者: | Wang, Zhen Lee, Sher Ling Huang, Tse Chiang Lin, Geng Sheng KUO-LUN TUNG |
關鍵字: | hollow-fiber membrane | membrane formation | Molecular modelling | molecular simulation | 公開日期: | 1-一月-2022 | 來源出版物: | 60 Years of the Loeb-Sourirajan Membrane: Principles, New Materials, Modelling, Characterization, and Applications | 摘要: | Molecular modelling and simulation are widely used in scientific research, as they are cost-efficient and provide accurate predictions. This chapter first discusses methods of molecular modelling performed in three different scales: electronic scale, atomistic scale, and meso scale. The simulation methods include ab initio methods, molecular dynamic simulation, and Monte Carlo simulation. Next, the simulation of membrane formation prepared via phase inversion, dry casting, and interfacial polymerization is also further discussed. Lastly, the main focus of this chapter will be on molecular simulation of hollow-fiber membrane formation where the simulation such as dissipative particle dynamics is discussed. Hollow fiber has been extensively researched and applied because of its high packing density, low manufacturing cost, and excellent flexibility. To date, studies of hollow fiber through experimental approaches have been reported by many researchers. However, there have been very few simulations of hollow fiber; hence this field is worth being studied more in the future. |
URI: | https://scholars.lib.ntu.edu.tw/handle/123456789/631393 | ISBN: | 9780323899772 | DOI: | 10.1016/B978-0-323-89977-2.00017-8 |
顯示於: | 化學工程學系 |
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