聚电解质凝胶在简单和复杂几何结构中的溶胀输运模型

E.C. Achilleos , K.N. Christodoulou , I.G. Kevrekidis
{"title":"聚电解质凝胶在简单和复杂几何结构中的溶胀输运模型","authors":"E.C. Achilleos ,&nbsp;K.N. Christodoulou ,&nbsp;I.G. Kevrekidis","doi":"10.1016/S1089-3156(99)00060-4","DOIUrl":null,"url":null,"abstract":"<div><p><span>A model for the swelling of polyelectrolyte gels in salt solutions is developed and solved numerically. The model accounts for the effect of network stress, </span>osmotic pressure, and electrical potential on the species diffusive flux. The osmotic pressure and the network stress are derived from the Helmholtz free energy of the system that is the sum of mixing, elastic, and electrostatic components. One- and two-dimensional swelling in unconstrained and constrained geometries are simulated for a salt–solvent–polymer system. The transient and equilibrium fields of electrical potential, concentrations, deformation, and stress are obtained. Transient overshoots and non-uniformities in the residual profiles are predicted.</p></div>","PeriodicalId":100309,"journal":{"name":"Computational and Theoretical Polymer Science","volume":"11 1","pages":"Pages 63-80"},"PeriodicalIF":0.0000,"publicationDate":"2001-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1089-3156(99)00060-4","citationCount":"47","resultStr":"{\"title\":\"A transport model for swelling of polyelectrolyte gels in simple and complex geometries\",\"authors\":\"E.C. Achilleos ,&nbsp;K.N. Christodoulou ,&nbsp;I.G. Kevrekidis\",\"doi\":\"10.1016/S1089-3156(99)00060-4\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p><span>A model for the swelling of polyelectrolyte gels in salt solutions is developed and solved numerically. The model accounts for the effect of network stress, </span>osmotic pressure, and electrical potential on the species diffusive flux. The osmotic pressure and the network stress are derived from the Helmholtz free energy of the system that is the sum of mixing, elastic, and electrostatic components. One- and two-dimensional swelling in unconstrained and constrained geometries are simulated for a salt–solvent–polymer system. The transient and equilibrium fields of electrical potential, concentrations, deformation, and stress are obtained. Transient overshoots and non-uniformities in the residual profiles are predicted.</p></div>\",\"PeriodicalId\":100309,\"journal\":{\"name\":\"Computational and Theoretical Polymer Science\",\"volume\":\"11 1\",\"pages\":\"Pages 63-80\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2001-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/S1089-3156(99)00060-4\",\"citationCount\":\"47\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computational and Theoretical Polymer Science\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1089315699000604\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational and Theoretical Polymer Science","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1089315699000604","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 47

摘要

建立了聚电解质凝胶在盐溶液中的溶胀模型,并进行了数值求解。该模型考虑了网络应力、渗透压和电势对物种扩散通量的影响。渗透压和网络应力由系统的亥姆霍兹自由能导出,亥姆霍兹自由能是混合、弹性和静电分量的总和。模拟了盐溶剂-聚合物体系在无约束和约束几何条件下的一维和二维膨胀。得到了电势、浓度、变形和应力的瞬态场和平衡场。预测了残余剖面的瞬态超调和非均匀性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
A transport model for swelling of polyelectrolyte gels in simple and complex geometries

A model for the swelling of polyelectrolyte gels in salt solutions is developed and solved numerically. The model accounts for the effect of network stress, osmotic pressure, and electrical potential on the species diffusive flux. The osmotic pressure and the network stress are derived from the Helmholtz free energy of the system that is the sum of mixing, elastic, and electrostatic components. One- and two-dimensional swelling in unconstrained and constrained geometries are simulated for a salt–solvent–polymer system. The transient and equilibrium fields of electrical potential, concentrations, deformation, and stress are obtained. Transient overshoots and non-uniformities in the residual profiles are predicted.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
期刊最新文献
Prediction of the swelling behaviour of amphiphilic hydrogels and the determination of average molecular weight between cross-links New force-field parameters for use in molecular simulations of s-triazine and cyanurate-containing systems. 1 — derivation and molecular structure synopsis Phase separation and gelation of polymer-dispersed liquid crystals Computational annealing of simulated unimodal and bimodal networks Study on structure formation of short polyethylene chains via dynamic Monte Carlo simulation
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1