Adsorption Mechanism and Dynamic Behavior of Water and Ethanol Molecules Inside Au Nanotubes

Chinese Journal of Catalysis ›› 2008, Vol. 29 ›› Issue (11): 1099-1106.

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Adsorption Mechanism and Dynamic Behavior of Water and Ethanol Molecules Inside Au Nanotubes

WANG Yao-Chun1, CHEN Chuan2,3, JU Shin-Pon1*

1 Department of Mechanical and Electro-Mechanical Engineering, Center for Nanoscience and Nanotechnology, Sun Yat-Sen University, Kaohsiung 80424, Taiwan;2 Department of Information Management, Meiho Institute of Technology, Pingtung 912, Taiwan;3 Department of Engineering Science, Cheng Kung University, Tainan 701, Taiwan

Received:2008-11-25 Online:2008-11-25 Published:2012-08-17

Abstract

Abstract: Molecular dynamics simulation was used to investigate the behavior of water a nd ethanol molecules at various weight fractions inside the Au nanotube. The rad ius density distribution and the probability of the number of hydrogen bonds pe r water and ethanol molecule were used to investigate the nano-confined effect.

Key words: water, ethanol, gold nanotube, molecular dynamics simulation, hydrogen bond

WANG Yao-Chun;CHEN Chuan;JU Shin-Pon*. Adsorption Mechanism and Dynamic Behavior of Water and Ethanol Molecules Inside Au Nanotubes[J]. Chinese Journal of Catalysis, 2008, 29(11): 1099-1106.

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Adsorption Mechanism and Dynamic Behavior of Water and Ethanol Molecules Inside Au Nanotubes

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