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Conformation of Polyethylene Glycol inside Confined Space: Simulation and Experimental Approaches

机译:密闭空间内聚乙二醇的构象:仿真与实验方法

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摘要

The modification of the inner nanopore wall by polymers is currently used to change the specific properties of the nanosystem. Among them, the polyethylene glycol (PEG) is the most used to prevent the fouling and ensure the wettability. However, its properties depend mainly on the chain structure that is very difficult to estimate inside this confined space. Combining experimental and simulation approaches, we provide an insight to the consequence of the PEG presence inside the nanopore on the nanopore properties. We show, in particular, that the cation type in the electrolyte, together with the type of electrolyte (water or urea), is at the origin of the ion transport modification in the nanopore.
机译:通过聚合物的内纳米孔壁的改性目前用于改变纳米系统的特定性质。其中,聚乙二醇(PEG)是最常用的,以防止污垢并确保润湿性。然而,其特性主要取决于链结构,这很难估计在这个受限空间内。结合实验和仿真方法,我们提供了对纳米孔特性纳米孔内的PEG存在的结果的洞察。特别地,我们表明,电解质中的阳离子类型与电解质(水或尿素)一起在纳米孔中的离子传输改性的起源。

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