The structure and interaction mechanism of a polyelectrolyte complex: a dissipative particle dynamics study
作者： Efrain Meneses-Juárez , César Márquez-Beltrán , Juan Francisco Rivas-Silva , Umapada Pal , Minerva González-Melchor
DOI: 10.1039/C5SM00911A
关键词: Dissipative particle dynamics 、 Polyelectrolyte 、 Polymer 、 Chemistry 、 Theta solvent 、 Radial distribution function 、 Radius of gyration 、 Polymer chemistry 、 Ionic strength 、 Chemical physics 、 Counterion
摘要: The mechanism of complex formation two oppositely charged linear polyelectrolytes dispersed in a solvent is investigated by using dissipative particle dynamics (DPD) simulation. In the polyelectrolyte solution, size cationic remains constant while anionic chain increases. We analyze influence and salt effect (ionic strength) on conformational changes chains during formation. behavior radial distribution function, end-to-end distance radius gyration each examined. These results showed that effectiveness strongly influenced process counterion release from chains. estimated Fox–Flory equation for wormlike polymer theta solvent. addition salts medium accelerates process, affecting its gyration. Depending ratio lengths compact or loosely bound elongated structure can be formed.
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