应用博恩模型描述水合聚合物中的盐分分配

IF 5.1 Q1 POLYMER SCIENCE ACS Macro Letters Pub Date : 2024-04-16 DOI:10.1021/acsmacrolett.4c00048
Sean M. Bannon,  and , Geoffrey M. Geise*, 
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引用次数: 0

摘要

经典的 Born 模型可用于预测水合聚合物中观察到的盐分分配特性,但这些预测结果与实验数据之间往往存在显著的定量差异。在此,我们使用更新版的 Born 模型,并根据水合聚合物的局部环境和网孔大小重新制定了模型,以描述之前公布的交联聚(乙二醇)二丙烯酸酯聚合物的 NaCl、KCl 和 LiCl 分配特性。这一重新制定的博恩模型描述了聚合物结构(即网络网格大小及其与含水量的关系)和外部盐浓度对聚合物中盐分配的影响,与经典博恩模型相比有了显著改进。更新后的模型能最有效地描述 NaCl 的分盐特性,并能让人们从根本上了解 NaCl、KCl 和 LiCl 在水合聚合物中的分盐过程。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Application of the Born Model to Describe Salt Partitioning in Hydrated Polymers

The classic Born model can be used to predict salt partitioning properties observed in hydrated polymers, but there are often significant quantitative discrepancies between these predictions and the experimental data. Here, we use an updated version of the Born model, reformulated to account for the local environment and mesh size of a hydrated polymer, to describe previously published NaCl, KCl, and LiCl partitioning properties of model cross-linked poly(ethylene glycol) diacrylate polymers. This reformulated Born model describes the influence of polymer structure (i.e., network mesh size and its relationship with water content) and external salt concentration on salt partitioning in the polymers with a significant improvement relative to the classic Born model. The updated model most effectively describes NaCl partitioning properties and provides an additional fundamental understanding of salt partitioning processes, for NaCl, KCl, and LiCl, in hydrated polymers that are of interest for a variety of environmental and biological applications.

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来源期刊
CiteScore
10.40
自引率
3.40%
发文量
209
审稿时长
1 months
期刊介绍: ACS Macro Letters publishes research in all areas of contemporary soft matter science in which macromolecules play a key role, including nanotechnology, self-assembly, supramolecular chemistry, biomaterials, energy generation and storage, and renewable/sustainable materials. Submissions to ACS Macro Letters should justify clearly the rapid disclosure of the key elements of the study. The scope of the journal includes high-impact research of broad interest in all areas of polymer science and engineering, including cross-disciplinary research that interfaces with polymer science. With the launch of ACS Macro Letters, all Communications that were formerly published in Macromolecules and Biomacromolecules will be published as Letters in ACS Macro Letters.
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