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First Principle Study on Hydrogen Diffusion in Degassing

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Abstract:

The effects of chlorine on improving hydrogen diffusion have been studied by first principle calculations and we obtain the diffusivity of hydrogen in liquid aluminum which is in agreement with the experimental data. It can be concluded that the diffusion of hydrogen in aluminum melts can be enhanced in the presence of chlorine and mobility of aluminum is depressed by forming alumina layer which can impede the diffusion of hydrogen.

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Info:

Periodical:

Key Engineering Materials (Volumes 474-476)

Pages:

1384-1387

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.474-476.1384

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Online since:

April 2011

Authors:

Yan Liu, Bao De Sun, Yong Bing Dai, Jun Wang

Keywords:

Degassing, Diffusion Coefficient, First-Principle Calculations, Oxidation Layer

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© 2011 Trans Tech Publications Ltd. All Rights Reserved

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