International Journal of Hydrogen Energy, Vol.26, No.12, 1307-1313, 2001
Monte Carlo study of the static and dynamic behaviors of polymer chains near an adsorbent surface
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 on a solid surface is analyzed. Following the course of individual chains a detailed description of their structure, chain conformation, surface coverage and volume fraction profiles were measured for systems with a different number of chains over a wide range of temperatures. For the dynamics, the time relaxation function and relaxation time were analyzed for systems at different temperatures and concentration of chains.