Coupling of Charge Regulation and Conformational Equilibria in Linear Weak Polyelectrolytes: Treatment of Long-Range Interactions via Effective Short-Ranged and pH-Dependent Interaction Parameters.

Blanco, Pablo M; Madurga, Sergio; Mas, Francesc; Garcés, Josep L

Blanco, Pablo M; Madurga, Sergio; Mas, Francesc; Garcés, Josep L.

Afiliação

Blanco PM; Physical Chemistry Unit, Department of Materials Science and Physical Chemistry & Research Institute of Theoretical and Computational Chemistry (IQTCUB) of Barcelona University (UB), 08028 Barcelona, Catalonia, Spain. pmblanco@ub.edu.
Madurga S; Physical Chemistry Unit, Department of Materials Science and Physical Chemistry & Research Institute of Theoretical and Computational Chemistry (IQTCUB) of Barcelona University (UB), 08028 Barcelona, Catalonia, Spain. s.madurga@ub.edu.
Mas F; Physical Chemistry Unit, Department of Materials Science and Physical Chemistry & Research Institute of Theoretical and Computational Chemistry (IQTCUB) of Barcelona University (UB), 08028 Barcelona, Catalonia, Spain. fmas@ub.edu.
Garcés JL; Department of Chemistry, Technical School of Agricultural Engineering & Agrotecnio of Lleida University (UdL), 25003 Lleida, Catalonia, Spain. jlgarces@quimica.udl.cat.

Polymers (Basel) ; 10(8)2018 Jul 24.

Article em En | MEDLINE | ID: mdl-30960736

Palavras-chave

DebyeHückel interactions; Ising models; Monte Carlo simulations; charge regulation; conformational equilibria; long-range interactions; polyelectrolytes; semi-grand canonical ensemble; transfer matrix; variational methods

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article