Layering, condensation, and evaporation of short chains in narrow slit pores

被引:39
|
作者
Li, ZD [1 ]
Cao, DP [1 ]
Wu, JZ [1 ]
机构
[1] Univ Calif Riverside, Dept Environm Chem & Engn, Riverside, CA 92521 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2005年 / 122卷 / 22期
基金
美国国家科学基金会;
关键词
D O I
10.1063/1.1924603
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The phase behavior of short-chain fluids in slit pores is investigated by using a nonlocal-density-functional theory that takes into account the effects of segment size, chain connectivity, and van der Waals attractions explicitly. The layering and capillary condensation/evaporation transitions are examined at different chain length, temperature, pore width, and surface energy. It is found that longer chains are more likely to show hysteresis loops and multilayer adsorptions along with the capillary condensation and evaporation. Decreasing temperature favors the inclusion of layering transitions into the condensation/evaporation hysteresis loops. For large pores, the surface energy has relatively small effect on the pressures of the capillary condensation and evaporation but affects significantly on the layering pressures. It is also observed that all phase transitions within the pore take place at pressures lower than the corresponding bulk saturation pressure. The critical temperature of condensation/evaporation is always smaller than that of the bulk fluid. All coexistence curves for confined phase transitions are contained within the corresponding bulk vapor-liquid coexistence curve. As in the bulk phase, the longer the chain length, the higher are the critical temperatures of phase transitions in the pore.
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页数:8
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