Optimaization of Single-Walled Carbon Nanotube for Adsorption of Methane

被引：0
|
作者：
He, Kerong [1 ]
机构：
[1] Jiangxi Blue Sky Univ Nanchang, Inst Informat Technol, Nanchang, Peoples R China
来源：
MATERIALS PROCESSING TECHNOLOGY, PTS 1-4 | 2011年 / 291-294卷
关键词：
Optimal parameter; Single-walled carbon nanotube; Adsorption; HYDROGEN ADSORPTION; STORAGE; OPTIMIZATION; SIMULATION; ARRAYS; PORES;
D O I：
10.4028/www.scientific.net/AMR.291-294.490
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In this paper, methane adsorption in single-walled carbon nanotube (SWNT) has been simulated by using the grand canonical ensemble Monte Carlo (GCMC) method. Lennard-Jones (LJ) 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, two methods of calculation of potential between fluid molecules and SWNT are compared. The potential calculated by the two methods are almost the same. Then the influence of diameter of SWNT on the usable capacity ratio (UCR) is analyzed, and the parameters of the SWNT which has the best adsorption performance at 300K is recommended under certain pressure.
引用
收藏
页码：490 / 493
页数：4
相关论文
共 50 条
  • [1] Computational Simulation of Methane Adsorption in Single-Walled Carbon Nanotube
    He, Kerong
    Lu, Zhichu
    [J]. ADVANCED RESEARCH ON MECHANICAL ENGINEERING, INDUSTRY AND MANUFACTURING ENGINEERING, PTS 1 AND 2, 2011, 63-64 : 983 - +
  • [2] Methane adsorption on single-walled carbon nanotube: a density functional theory model
    Tanaka, H
    El-Merraoui, M
    Steele, WA
    Kaneko, K
    [J]. CHEMICAL PHYSICS LETTERS, 2002, 352 (5-6) : 334 - 341
  • [3] Mechanisms of adsorption in single-walled carbon nanotube bundles
    Agnihotri, Sandeep
    Mota, Jose PB.
    Rostam-Abadi, Massoud
    Rood, Mark J.
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [4] Methane and krypton adsorption on single-walled carbon nanotubes
    Muris, M
    Dufau, N
    Bienfait, M
    Dupont-Pavlovsky, N
    Grillet, Y
    Palmari, JP
    [J]. LANGMUIR, 2000, 16 (17) : 7019 - 7022
  • [5] On the adsorption of arsenic on single-walled carbon nanotube and Fe-doped single-walled carbon nanotube: a quantum chemical study
    Art Anthony Z. Munio
    Alvanh Alem G. Pido
    Leo Cristobal C. Ambolode
    [J]. Chemical Papers, 2024, 78 : 505 - 517
  • [6] On the adsorption of arsenic on single-walled carbon nanotube and Fe-doped single-walled carbon nanotube: a quantum chemical study
    Munio, Art Anthony Z.
    Pido, Alvanh Alem G.
    Ambolode II, Leo Cristobal C.
    [J]. CHEMICAL PAPERS, 2024, 78 (01) : 505 - 517
  • [7] Gas adsorption on heterogeneous single-walled carbon nanotube bundles
    Shi, W
    Johnson, JK
    [J]. PHYSICAL REVIEW LETTERS, 2003, 91 (01)
  • [8] Size effect of single-walled carbon nanotube on adsorption of perfluorooctanesulfonate
    Li, Yangyang
    Niu, Junfeng
    Shen, Zhenyao
    Feng, Chenghong
    [J]. CHEMOSPHERE, 2013, 91 (06) : 784 - 790
  • [9] The adsorption of methanol at the defective site of single-walled carbon nanotube
    Tang, Zi-Rong
    [J]. PHYSICA B-CONDENSED MATTER, 2010, 405 (02) : 770 - 773
  • [10] SIMULATION OF HYDROGEN DIFFUSION AND ADSORPTION ON SINGLE-WALLED CARBON NANOTUBE
    Liu, Y. H.
    Tian, B.
    Wang, F.
    Wei, J.
    [J]. INTERNATIONAL MECHANICAL ENGINEERING CONGRESS AND EXPOSITION - 2012, VOL 9, PTS A AND B, 2013, : 109 - 112
12345