Non-Equilibrium Dynamic Monte Carlo Simulations on Methane and Ethylene Permeations through MFI-type Silicalite Membranes
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概要
- 論文の詳細を見る
The results of non-equilibrium dynamic Monte Carlo (DyMC) simulations on the permeation of methane and ethylene in MFI-type silicalite membranes are reported. The required parameter for the rate of jumping is estimated from our previous MD studies, and the validity of two different lattice models is examined in terms of the reproducibility of the self-diffusion coefficients using these estimated parameters. Our simulation results indicate that different lattice models are required for methane and ethylene. The permeability through silicalite membrane is estimated by non-equilibrium DyMC and compared with the expected values that are predicted by a previously reported method, the combined method of molecular simulation techniques with a permeation model (CMP). The simulated permeability of methane shows agreement with CMP values, and that of ethylene is reasonable when compared with the CMP values.
- 社団法人 化学工学会の論文
- 2003-11-01
著者
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Takaba Hiromitsu
Department of Chemical Engineering, Graduate School of Engineering, Tohoku University
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Takaba Hiromitsu
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
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NAKAO Shin-ichi
Department of Chemical System Engineering, Faculty of Engineering, The University of Tokyo
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Nakao S
Department Of Chemical System Engineering The University Of Tokyo
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Nakao Shin-ichi
Department Of Chemical Engineering Faculty Of Engineering University Of Tokyo
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Takaba Hiromitsu
Department Of Chemical System Engineering The University Of Tokyo
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Nakao Shin-ichi
Department Of Anesthesia Kyoto University Hospital
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