Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Science Technology and Engineering》 2014-17
Add to Favorite Get Latest Update

Computational Simulation of Methane Adsorption in Single-walled Carbon Nanotube

HE Ke-rong;ZHU Jie-lu;Department of Civil Engineering,Jiangxi University of Technology;  
Methane adsorption in single-walled carbon nanotube( SWNT) has been simulated by using the grand canonical ensemble Monte Carlo( GCMC) method. Lennard-Jones( L-J) potential is used to represent the fluid-fluid interaction,Lennard-Jones potential and integral method are used to calculation of the potential between fluid molecules and carbon atoms,respectively. In the simulation,firstly,two methods of calculation of potential between fluid molecules and SWNT are compared. The potential calculated by the two methods are almost the same. Secondly,adsorption isotherms of methane in the( 15,15),( 20,20),( 25,25) and( 30,30) SWNT are simulated. Thirdly,based on the usable capacity ratio( UCR),the relationship between the adsorption performance of( 15,15),( 20,20),( 25,25) and( 30,30) SWNT and the pressure is analyzed,then the influence of diameter of SWNT on the UCR is analyzed,and the parameters of the SWNT which has the best adsorption performance at 300 K is recommended under certain pressure.
【Fund】: 江西省教育厅基金(GJJ10275)资助
【CateGory Index】: O35
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved