Molecular dynamics simulation of benzene in graphite and amorphous carbon slit pores
Author:
- 4 September 2013
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 34 (30) , 2615-2624
Abstract
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.Keywords
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