THEORETICAL-STUDIES ON THE AFFINITY OF CO2 AND N-2 MOLECULES TO SOLID-SURFACES

被引:11
作者
TAKABA, H
KATAGIRI, M
KUBO, M
VETRIVEL, R
BROCLAWIK, E
MIYAMOTO, A
机构
[1] Department of Molecular Chemistry and Engineering, Faculty of Engineering, Tohoku University, Sendai
关键词
D O I
10.1016/0196-8904(95)00039-G
中图分类号
O414.1 [热力学];
学科分类号
摘要
Materials suitable for inorganic membranes with high efficiency for the gas separation process were studied by means of computational chemistry. It was shown that the difference in affinities of molecules to surfaces estimated from adsorption energies on model clusters is an important factor in making an effective membrane. Magnesia and alumina were shown to be effective in CO2/N-2 separation system while silica and titania should not be selective materials.
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页码:439 / 442
页数:4
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