Bannon Sean M, Geise Geoffrey M
Department of Chemical Engineering, University of Virginia, 385 McCormick Road, Charlottesville, Virginia 22903, United States.
ACS Macro Lett. 2024 May 21;13(5):515-520. doi: 10.1021/acsmacrolett.4c00048. Epub 2024 Apr 16.
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.
经典的玻恩模型可用于预测在水合聚合物中观察到的盐分配特性,但这些预测与实验数据之间往往存在显著的定量差异。在此,我们使用玻恩模型的一个更新版本,重新构建以考虑水合聚合物的局部环境和网孔尺寸,来描述先前发表的模型交联聚乙二醇二丙烯酸酯聚合物的氯化钠、氯化钾和氯化锂分配特性。相对于经典玻恩模型,这个重新构建的玻恩模型在描述聚合物结构(即网络网孔尺寸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方面有显著改进。更新后的模型最有效地描述了氯化钠的分配特性,并为氯化钠、氯化钾和氯化锂在水合聚合物中的盐分配过程提供了额外的基本理解,这些聚合物在各种环境和生物应用中都很重要。