Molecular Dynamics Simulation of Benzene in Graphite and Amorphous Carbon Slit Pores
YD Fomin, JOURNAL OF COMPUTATIONAL CHEMISTRY, 34, 2615-2624 (2013).
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.
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