期刊
CHEMPHYSCHEM
卷 5, 期 4, 页码 457-464出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.200300901
关键词
compression; computer chemistry; grand canonical ensemble; polymers
We have used the dissipative particle dynamics (DPD) method in the grand canonical ensemble to study the compression of grafted polymer brushes in good solvent conditions. The force-distance profiles calculated from DPD simulations in the grand canonical ensemble are in very good agreement with the self-consistent field (SCF) theoretical models and with experimental results for two polystyrene brush layers grafted onto mica surfaces in toluene.
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