Mesoscopic Simulation on the Interaction Between Polymer PVP and Surfactant AOT

Abstract

Abstract: The interaction between polyvinylpyrrolidone (PVP) with sodium bis(2-ethylhexyl) sulfosuccinate (AOT) has been studied by dissipative particle dynamics (DPD) simulation. With the increase of surfactant concentration, the mean square end-to-end distance <r²> of polymer chain firstlYINcreased, then reduced, and increased again. The analysis of structure shows that the dihedral of polymer chain changed if AOT was added in the polymer system. It indicates that the interaction between polymer and surfactant occurs. And the aggregates of polymer and surfactant can be shown bYUsing the DPD simulated cell. One conclusion is that molecular simulation can be considered as an adjunct to experiments.

Key words: Dissipative particle dynamics(DPD), Polymer, Surfactant, Interaction

CLC Number:

O641

TrendMD:

YUAN Shi-Ling, LIU Cheng-Bu, XU Gui-Ying, CAI Zheng-Ting . Mesoscopic Simulation on the Interaction Between Polymer PVP and Surfactant AOT[J]. Chem. J. Chinese Universities, 2003, 24(6): 1048.

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Mesoscopic Simulation on the Interaction Between Polymer PVP and Surfactant AOT

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