政大機構典藏-National Chengchi University Institutional Repository(NCCUR):Item 140.119/65812

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题名:	Stability of thin polymer films: influence of solvents
作者:	林瑜琤 Lin, Yu-Cheng
贡献者:	應物所
日期:	2004.08
上传时间:	2014-05-01 17:54:18 (UTC+8)
摘要:	The interface and surface properties and the wetting behavior of polymer-solvent mixtures are investigated using Monte Carlo simulations and self-consistent field calculations. We carry out Monte Carlo simulations in the framework of a coarse-grained bead-spring model using short chains (oligomers) of NP=5 beads and a monomeric solvent,NS=1. The self-consistent field calculations are based on a simple phenomenological equation of state for compressible binary mixtures and we employ Gaussian chain model. The bulk behavior of the polymer-solvent mixture belongs to type III in the classification of van Konynenburg and Scott [Phil. Trans. R. Soc. London, Ser. A 298, 495 (1980)]. It is characterized by a triple line on which the polymer-liquid coexists with solvent-vapor and a solvent-rich liquid. The solvent is not homogeneously distributed across the dense polymer film but tends to accumulate at the surface and the polymer-vapor interface. This solvent enrichment at the interface and surface becomes more pronounced upon increasing the vapor pressure and alters the surface and interface tensions. This effect gives rise to a nonmonotonic dependence of the contact angle on the vapor pressure and one might observe reentrant wetting. The results of the Monte Carlo simulations and the self-consistent field calculations qualitatively agree. The profiles of drops are investigated by Monte Carlo simulations and a pronounced solvent enrichment is observed at the wedge formed by the substrate and the liquid-vapor interface at the three-phase contact line.
關聯:	J. Chem. Phys., 121(8), 3816-3828
数据类型:	article
显示于类别:	[應用物理研究所 ] 期刊論文

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