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Simulation and Thermodynamic Analysis of the Adsorption of Mixed CH4 and N2 on Silicalite-1 Molecular Sieve

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The grand canonical Monte Carlo method has been applied to investigate the adsorption behaviors of mixed methane (CH4) and nitrogen (N2) as low enriched coalbed methane on the Silicalite-1 molecular sieve; the adsorption isotherms were obtained at the temperatures of 288 K, 298 K and 308 K and a pressure range up to 10 MPa. Under identical conditions, the adsorption capacity of CH4 was found to be higher than that of N2 in the Silicalite-1 molecular sieve. At 288 K and 100 kPa, the equilibrium selectivity coefficient of the CH4/N2 mixture is 3.2. Thermodynamic calculations show that ΔG < 0, ΔH < 0, and ΔS < 0 for the adsorption process, indicating that this process is spontaneous and exothermic and is accompanied by an increase in the degree of order. Additionally, low temperature was determined to be favorable for adsorption, and the adsorption of CH4 is much easier than that of N2 on Silicalite-1.

Keywords: Adsorption; CH4 and N2; Molecular Sieve; Simulation

Document Type: Research Article

Affiliations: 1: State Key Laboratory of Heavy Oil, China University of Petroleum, Qingdao, 266580, China 2: Institute of Unconventional Hydrocarbon and New Energy Sources, China University of Petroleum, Qingdao, 266580, China 3: University of Chinese Academy of Sciences, College of Earth Science, Beijing, 100049, China

Publication date: 01 September 2017

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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