Adsorption and disjoining pressure isotherms of confined polymers using dissipative particle dynamics.
The adsorption and disjoining pressure isotherms of polymers confined by planar walls are obtained using Monte Carlo (MC) simulations in the Grand Canonical (GC) ensemble in combination with the mesoscopic technique known as dissipative particle dynamics (DPD). Two models of effective potentials for the confining surfaces are used: one with both an attractive and a repulsive term and one with a purely repulsive term. As for the polymer, seven-bead linear model of polyethylene glycol (PEG) dissolved in water is used. The results indicate remarkably good agreement between the trends shown by our adsorption isotherms and those obtained from experiments of PEG on oxide surfaces. Additionally, the disjoining pressure isotherm of water shows oscillations, while those of PEG display the same trend for both wall models. Moreover, it is found that the disjoining pressure isotherms are in qualitative agreement with those from experiments on confined linear polymers.
Goicochea
A Gama
AG
Centro de Investigación en Polímeros (Grupo COMEX) Marcos Achar Lobatón No. 2, Tepexpan, 55885 Acolman, Estado de México, Mexico. agama@cip.org