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...

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Bibliographic Details
Published in:Langmuir 2007-11, Vol.23 (23), p.11656-11663
Main Author: Goicochea, A. Gama
Format: Article
Language:English
Subjects:
Chemistry
Colloidal state and disperse state
Exact sciences and technology
General and physical chemistry
Surface physical chemistry
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Summary: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.
ISSN:0743-7463
1520-5827
DOI:10.1021/la701791h