Acta Chimica Sinica ›› 2006, Vol. 64 ›› Issue (11): 1111-1115. Previous Articles     Next Articles

Original Articles

温度对碳膜内氮、氧渗透分离影响的非平衡模拟

王淑梅,于养信*,高光华   

  1. (清华大学化学工程系 化学工程联合国家重点实验室 北京 100084)
  • 投稿日期:2005-09-27 修回日期:2006-02-16 发布日期:2006-06-15
  • 通讯作者: 于养信

Effect of Temperature on the Permeation and Separation of Oxygen and Nitrogen in Carbon Membranes: A Non-equilibrium Molecular Dynamics Simulation Study

WANG Shu-Mei, YU Yang-Xin*, GAO Guang-Hua   

  1. (State Key Laboratory of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084)
  • Received:2005-09-27 Revised:2006-02-16 Published:2006-06-15
  • Contact: YU Yang-Xin

The effect of temperature on the permeation of oxygen, nitrogen and their binary gas mixture through carbon membranes were investigated using a dual control volume grand canonical molecular dynamics method. The two-dimensional slit was used instead of one-dimensional pore, and a novel iteration was introduced to overcome the difficulty of ignoring the effect of permeation side pressure and composition on gas transports. The results showed that both oxygen and nitrogen followed Knudsen diffusion mechanism when they permeated through carbon membranes as pure component, respectively. In this case, nitrogen had a rather higher permeability than oxygen. However, oxygen had a higher permeability than nitrogen due to competitive adsorption at low temperature when their mixture flowed through membranes. In addition, the pore width impacted the permeability strongly, especially when the pore was very small, and molecular sieving predominated the separation of oxygen/nitrogen. But at the high temperature adsorption hardly affected the separation of oxygen/nitrogen.

Key words: carbon membrane, non-equilibrium simulation, permeation, nitrogen, oxygen