Artigo
Computer simulation of configurational properties of partially ionized polyelectrolytes
Registro en:
Journal of Molecular Structure: THEOCHEM, v. 282, n. 1-2, p. 167-174, 1993.
0166-1280
10.1016/0166-1280(93)85047-3
WOS:A1993LH86000022
2-s2.0-5244301379
4167514050938821
Autor
de Souza, Aguinaldo Robinson [UNESP]
Degrève, Léo
Resumen
Monte Carlo simulation methods were used in order to study the conformational properties of partially ionized polyelectrolyte chains with Debye-Hückel screening in 1:1 electrolyte solution at room temperature. Configurational properties such as the distributions of probability for the square end to end distances, for the square radii of gyration and for the angles between polyion bonds were investigated as a function of the chain ionization and the salt concentration. © 1993. Departamento de Química Universidade Estadual Paulista Departamento de Química Faculdade de Filosofia Ciências e Letras de Ribeirão Preto Departamento de Química Universidade Estadual Paulista