期刊
MOLECULAR PHYSICS
卷 103, 期 19, 页码 2675-2685出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970500134706
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We present a study of the compression of polymer-grafted surfaces using the dissipative particle dynamics (DPD) method at constant chemical potential. We demonstrate the importance of performing simulations of compression at fixed chemical potential of the solvent by comparing the simulated force-compression curves at constant chemical potential and density with the experimental pro. le determined for poly(ethylene-propylene) chains grafted onto mica surfaces in a cyclohexane solvent. The simulated force-distance and friction profiles are presented as a function of the polymer grafting density, the shear rate and the nature of the solvent. We also study the influence of the steepness of conservative potential between polymer segments and the size of the solvent elements ( particles) on the form of the force-compression and friction-compression profiles.
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