Abstract Dissipative particle dynamics (DPD), a coarse-grained simulation method, was used to investigate the formation of polyethersulfone (PES) membranes via the nonsolvent induced phase separation (NIPS) process with N-methyl-2-pyrrolidone (NMP) as the solvent and water as the nonsolvent coagulant. The effects of PES polymer concentration (8–16% (v/v)) and molecular weight (chain length with degree of polymerization of 60, 90, 135) on the membrane structure and morphology were investigated. The formation of asymmetric nanostructures with polymer-lean (liquid-rich) and polymer-rich domains was observed. A thin but dense polymer top layer at the liquid-polymer interface, with a more porous sub-layer, evolved over time. The effect of polymer concentration on membrane structure is more significant than that of the molecular weight of the PES polymer. As the polymer concentration increases from 8 to 16% (v/v), the surface layer becomes significantly denser, which is in agreement with experimental observations. Furthermore, high molecular weight PES leads to a slightly more porous membrane structure.

中文翻译：

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通过耗散粒子动力学模拟的非溶剂诱导相分离过程形成聚醚砜膜

摘要 耗散粒子动力学 (DPD) 是一种粗粒度模拟方法，用于通过以 N-甲基-2-吡咯烷酮 (NMP) 为原料的非溶剂诱导相分离 (NIPS) 工艺研究聚醚砜 (PES) 膜的形成。溶剂和水作为非溶剂混凝剂。研究了 PES 聚合物浓度 (8–16% (v/v)) 和分子量（聚合度为 60、90、135 的链长）对膜结构和形态的影响。观察到具有贫聚合物（富液体）和富聚合物域的不对称纳米结构的形成。随着时间的推移，液体-聚合物界面处的薄而致密的聚合物顶层具有更多孔的子层。聚合物浓度对膜结构的影响比PES聚合物的分子量影响更显着。随着聚合物浓度从 8% (v/v) 增加到 16% (v/v)，表面层变得更加致密，这与实验观察结果一致。此外，高分子量 PES 会导致膜结构的孔略多。