Understanding of supramolecular solution polymerization and interfacial polymerization via forming multiple hydrogen bonds: a computer simulation study

Author:

Shi Meng-Yu1,Li Chu-Xiang1,Song Wen-Yuan1,Liu Hong2ORCID,Xue Yao-Hong3ORCID,Wang Yan2ORCID

Affiliation:

1. Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou, Guangdong, 510006, People's Republic of China

2. Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Environment, South China Normal University, Guangzhou, Guangdong, 510006, People's Republic of China

3. Information Science School, Guangdong University of Finance and Economics, Guangzhou, Guangdong 510320, People's Republic of China

Abstract

We have conducted a detailed simulation study of supramolecular solution polymerization as well as interfacial polymerization employing a coarse-grained model which is closer to the real monomer structure via computer simulations.

Funder

National Natural Science Foundation of China

Alexander von Humboldt-Stiftung

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

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