Monte Carlo study of the static and dynamic behaviors of polymer chains near an adsorbent surface

Citation
Ac. Hernandez et Ka. Fichthorn, Monte Carlo study of the static and dynamic behaviors of polymer chains near an adsorbent surface, INT J HYD E, 26(12), 2001, pp. 1307-1313
Citations number
50
Categorie Soggetti
Environmental Engineering & Energy
Journal title
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
ISSN journal
03603199 → ACNP
Volume
26
Issue
12
Year of publication
2001
Pages
1307 - 1313
Database
ISI
SICI code
0360-3199(200112)26:12<1307:MCSOTS>2.0.ZU;2-K
Abstract
Using the Monte Carlo method for the bond fluctuation model a study of the static and dynamic properties of polymer chains in the adsorption process o n a solid surface is analyzed. Following the course of individual chains a detailed description of their structure, chain conformation, surface covera ge and volume fraction profiles were measured for systems with a different number of chains over a wide range of temperatures. For the dynamics, the t ime relaxation function and relaxation time were analyzed for systems at di fferent temperatures and concentration of chains. (C) 2001 Published by Els evier Science Ltd on behalf of the International Association for Hydrogen E nergy.