Porous Carbon Nanotube Membranes for Separation of H2/CH4 and CO2/CH4 Mixtures

被引：59
|
作者：
Bucior, Benjamin J. [1 ]
Chen, De-Li [1 ,2 ]
Liu, Jinchen [1 ,2 ]
Johnson, J. Karl [1 ,2 ]
机构：
[1] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA
[2] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA
来源：
JOURNAL OF PHYSICAL CHEMISTRY C | 2012年 / 116卷 / 49期
基金：
美国国家科学基金会;
关键词：
INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; MECHANICAL-PROPERTIES; GRAPHENE; STATE; TEMPERATURE; TRANSITION; ADSORPTION; PRESSURES; TRANSPORT;
D O I：
10.1021/jp3098022
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Porous carbon nanotubes, which are single-walled carbon nanotubes having tailored pores in their sidewalls, are proposed as potential membrane materials for separating gas mixtures with high selectivity and high permeance. We present both quantum mechanical calculations and classical statistical mechanical calculations with empirical potentials showing that porous carbon nanotubes having the correct pore size can very effectively separate mixtures of H-2/CH4 and also of CO2/CH4. In each of these mixtures, CH4 is effectively prevented from entering the pore due to size exclusion. These porous carbon nanotubes could be used in mixed matrix polymer membranes to increase both the permeance and the selectivity for targeted gas mixtures.
引用
收藏
页码：25904 / 25910
页数：7
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