文献类型：期刊文献

英文题名：Possible Way to Study Cononsolvency in Confinement: A Lattice Density Functional Theory Approach

作者：Chen, Xueqian[1,2];Feng, Wei[1,3];Han, Xia[1,3];Liu, Honglai[1,3]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem & Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Sci, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China

年份：2017

卷号：33

期号：42

起止页码：11446

外文期刊名：LANGMUIR

收录：;EI(收录号：20174304311628);WOS:【SCI-EXPANDED(收录号:WOS:000413992700035)】；

基金：This work is supported by the National Natural Science Foundation of China (nos. 91334203, 213 06042, and 91534103), the National Natural Science Foundation of China for Innovative Research Groups (no. 51621002), the 111 Project of Ministry of Education of China (no. B08021), the Natural Science Foundation of Shanghai (no. 13ZR1410800), and the China Scholarship Council (no. 201506745022). X.C. thanks Jianwen Jiang for helpful discussions during his visit to the National University of Singapore.

语种：英文

外文关键词：Binding energy - Lattice theory

摘要：Polymer lattice density functional theory (PLDFT) is used to investigate the cononsolvency (CNS) phenomena related to polymer adsorption in a slit pore. Specifically, the two simplest types of CNS are examined: CNS1 with solvent-cosolvent binding as the dominant factor and CNS2 with polymer-cosolvent binding as the dominant factor. The simplified models for CNS1/CNS2 well capture the symmetrical/asymmetrical reentrant swelling transition of polymers positively/negatively adsorbed on the solid surface as confirmed by the calculation of PLDFT. To more deeply understand the mechanism of CNS in polymer adsorption, the essential difference and connection between the two types of CNS are analyzed by PLDFT via the quantities as the surface/middle swelling ratio defined for the aggregated layer of polymers in the slit. Further investigation of the effects of binding strength on the collapsing state of the polymer membrane shows the existence of the critical binding energy to trigger drastic collapse through the cosolvent for CNS1 or CNS2. The effects from polymer concentration on two types of CNS are also discussed, showing two important results for CNS2 in agreement with reported experiments. For application, this work indicated the possibility of employing CNS (CNS1) in adsorbed polymers for a tunable surface, as an alternative to polymer brushes.