Reflections on the conformation, topology and thermodynamics of a polyelectrolyte chain in the presence of counterions with plausible applications

DOI10.1007/S10910-013-0159-2zbMath1264.92060OpenAlexW4249607812MaRDI QIDQ2375870

A. A. J. Agung, Christopher Gunaseelan Jesudason

Publication date: 25 June 2013

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-013-0159-2

zbMATH Keywords

molecular dynamics simulationpolyelectrolytesconformational studies

Mathematics Subject Classification ID

Chemistry (92E99) Probabilistic models, generic numerical methods in probability and statistics (65C20) Statistical mechanics of polymers (82D60) Applications of statistical mechanics to specific types of physical systems (82D99)

Uses Software

• ESPResSo
• DL_POLY

Cites Work

• Unnamed Item
• Model hysteresis dimer molecule. II: Deductions from probability profile due to system coordinates
• Structure and interactions of biological helices
• Entropic sampling of simple polymer models within Wang–Landau algorithm

This page was built for publication: Reflections on the conformation, topology and thermodynamics of a polyelectrolyte chain in the presence of counterions with plausible applications