Molecular Dynamics Simulation of Benzene in Graphite and Amorphous Carbon Slit Pores

被引：9
|
作者：
Fomin, Yu. D. [1 ,2 ,3 ]
机构：
[1] Russian Acad Sci HPPI RAS, Inst High Pressure Phys, Troitsk 142190, Russia
[2] Lab Tribol & Surface Nanotechnol, Ljubljana 1000, Slovenia
[3] State Univ, Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Region, Russia
来源：
JOURNAL OF COMPUTATIONAL CHEMISTRY | 2013年 / 34卷 / 30期
关键词：
benzene; slit pore; graphite walls; amorphous carbon walls; PHASE-BEHAVIOR; HYDROCARBONS; POTENTIALS; ADSORPTION; NANOPORES; SURFACES; SYSTEMS; ENERGY; MODEL;
D O I：
10.1002/jcc.23429
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
It is well known that confining a liquid into a pore strongly alters the liquid behavior. Investigations of the effect of confinement are of great importance for many scientific and technological applications. Here, we present a study of the behavior of benzene confined in carbon slit pores. Two types of pores are considered-graphite and amorphous carbon ones. We show that the effect of different pore structure is of crucial importance for the benzene behavior. (c) 2013 Wiley Periodicals, Inc.
引用
收藏
页码：2615 / 2624
页数：10
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