Simulation of a smeared polyelectrolyte in different solvent conditions
Küçük Resim Yok
Tarih
2014
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Taylor and Francis Ltd.
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
A polyelectrolyte (PEL) chain having a smeared charge distribution is simulated by using Metropolis Monte Carlo simulation technique. The PEL chain is charged in such a way that the total charge is smeared along the chain. The system is studied in various solvent conditions; good solvents, where a neutral chain behaves as if it did not interact with itself, and poor solvents. In each solvent regime, the strength of electrostatic interaction is varied. Equilibrium quantities are obtained, and the results are analysed. A continuous transition from a coiled structure to a stretched structure is observed in good and solvents, while in poor solvent regime intermediate structures are observed. © 2014 Taylor & Francis.
Açıklama
Anahtar Kelimeler
Monte Carlo, pearl-necklace structures, polyelectrolyte, smeared
Kaynak
Molecular Simulation
WoS Q Değeri
Q4
Scopus Q Değeri
Q2
Cilt
40
Sayı
15
