Title of article
Radial Distribution Function of H2 Adsorption on Coronene and its Si Substituted at 298 K by Molecular Mechanic method
Author/Authors
Nikmaram ، Farrokh Roya - Islamic Azad University, Yadegar - e - Imam Khomeini (RAH) Branch , Kalateh ، Khadijeh - Islamic Azad University, Yadegar - e - Imam Khomeini (RAH) Branch , Kanganizadeh ، Pegah - Islamic Azad University, Yadegar - e - Imam Khomeini (RAH) Branch
Pages
6
From page
160
To page
165
Abstract
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 4.34 for 18 Si, A structure at 0.73 Å. On the basis of results, the Coronene with 18 Si can be suggested as a choice for hydrogen container.
Keywords
Coronene , Silicon , Radial Distribution Functions , Hydrogen , Monte Carlo
Journal title
International Journal of new Chemistry
Serial Year
2014
Journal title
International Journal of new Chemistry
Record number
2466349
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