The Effect of Si Substitution on Distribution of H2 on Coronene
In this work, the radial distribution function (RDF) of H2 adsorption on coronene (C24) and its Si Substituted forms was investigated by Monte Carlo method. The effect of number and position of silicon substituent on the Coronene (C24) was compared. The maximum value of RDF at 298 K and 0.1 MPa is 4...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
Iranian Chemical Science and Technologies Association
2014-03-01
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Series: | International Journal of New Chemistry |
Subjects: | |
Online Access: | http://www.ijnc.ir/article_14740.html |