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...

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Bibliographic Details
Main Authors: Farrokh Roya Nikmaram;, Khadijeh Kalateh;, Pegah Kanganizadeh
Format: Article
Language:English
Published: Iranian Chemical Science and Technologies Association 2014-03-01
Series:International Journal of New Chemistry
Subjects:
Online Access:http://www.ijnc.ir/article_14740.html