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Acta Phys. -Chim. Sin.  2010, Vol. 26 Issue (06): 1637-1642    DOI: 10.3866/PKU.WHXB20100619
QUANTUM CHEMISTRY AND COMPUTATION CHEMISTRY     
Adsorption Separation of a Small Amount of 1,1,1,2-Tetrafluoroethane in Air Using Molecular Simulation
ZHANG Xiang, MA Cong-Cong, ZHANG Xue-Jun, SHAO Xiao-Hong, CAO Da-Peng
Laboratory of Molecular and Materials Simulation, Beijing University of Chemical Engineering, Beijing 100029, P. R. China; Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, Beijing University of Chemical Engineering, Beijing 100029, P. R. China
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Abstract  

The adsorption and separation of a binary mixture of N2 and HFC-134a (1,1,1,2-tetrafluoroethane) on activated carbon fibers (ACFs) was investigated by experiment and the grand canonical Monte Carlo (GCMC) method. The effects of pore size, pressure and temperature on the selectivity of HFC-134a over N2 on ACF were investigated. Results show that the selectivity of HFC-134a decreases with an increase in pore size, pressure and temperature. The selectivity of HFC-134a on ACF with a pore size distribution reaches 62 at room temperature, indicating that our sample is an excellent candidate for the removal of HFC-134a from air. In particular, the selectivity of HFC-134a over nitrogen on ACF with pores of 0.75 nm in size can reach 230 at 0.41×105 Pa and room temperature. Therefore, carbon materials with small pores are recommended to adsorb HFC-134a efficiently.



Key wordsGrand canonical Monte Carlo method      Absorption selectivity      1,1,1,2-Tetrafluoroethane      Activated carbon fiber     
Received: 26 January 2010      Published: 26 April 2010
MSC2000:  O647  
Corresponding Authors: SHAO Xiao-Hong     E-mail: shaoxh@mail.buct.edu.cn
Cite this article:

ZHANG Xiang, MA Cong-Cong, ZHANG Xue-Jun, SHAO Xiao-Hong, CAO Da-Peng. Adsorption Separation of a Small Amount of 1,1,1,2-Tetrafluoroethane in Air Using Molecular Simulation. Acta Phys. -Chim. Sin., 2010, 26(06): 1637-1642.

URL:

http://www.whxb.pku.edu.cn/10.3866/PKU.WHXB20100619     OR     http://www.whxb.pku.edu.cn/Y2010/V26/I06/1637

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