Theoretical studies on the affinity of CO2 and N2 molecules to solid surfaces

H. Takaba; M. Katagiri; M. Kubo; R. Vetrivel; E. Brocklawik; A. Miyamoto

doi:10.1016/0196-8904(95)00039-G

Theoretical studies on the affinity of CO₂ and N₂ molecules to solid surfaces

H. Takaba, M. Katagiri, M. Kubo, R. Vetrivel, E. Brocklawik, A. Miyamoto

Research output: Contribution to journal › Article › peer-review

10 Citations (Scopus)

Abstract

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/N₂ separation system while silica and titania should not be selective materials.

Original language	English
Pages (from-to)	439-442
Number of pages	4
Journal	Energy Conversion and Management
Volume	36
Issue number	6-9
DOIs	https://doi.org/10.1016/0196-8904(95)00039-G
Publication status	Published - 1995 Jan 1

ASJC Scopus subject areas

Renewable Energy, Sustainability and the Environment
Nuclear Energy and Engineering
Fuel Technology
Energy Engineering and Power Technology

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/0196-8904(95)00039-G

Cite this

@article{f5ff925dbe9a4ce79f9e8050f8a6bf37,

title = "Theoretical studies on the affinity of CO2 and N2 molecules to solid surfaces",

abstract = "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/N2 separation system while silica and titania should not be selective materials.",

author = "H. Takaba and M. Katagiri and M. Kubo and R. Vetrivel and E. Brocklawik and A. Miyamoto",

year = "1995",

month = jan,

day = "1",

doi = "10.1016/0196-8904(95)00039-G",

language = "English",

volume = "36",

pages = "439--442",

journal = "Energy Conversion and Management",

issn = "0196-8904",

publisher = "Elsevier Limited",

number = "6-9",

}

TY - JOUR

T1 - Theoretical studies on the affinity of CO2 and N2 molecules to solid surfaces

AU - Takaba, H.

AU - Katagiri, M.

AU - Kubo, M.

AU - Vetrivel, R.

AU - Brocklawik, E.

AU - Miyamoto, A.

PY - 1995/1/1

Y1 - 1995/1/1

N2 - 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/N2 separation system while silica and titania should not be selective materials.

AB - 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/N2 separation system while silica and titania should not be selective materials.

UR - http://www.scopus.com/inward/record.url?scp=0029323697&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0029323697&partnerID=8YFLogxK

U2 - 10.1016/0196-8904(95)00039-G

DO - 10.1016/0196-8904(95)00039-G

M3 - Article

AN - SCOPUS:0029323697

SN - 0196-8904

VL - 36

SP - 439

EP - 442

JO - Energy Conversion and Management

JF - Energy Conversion and Management

IS - 6-9

ER -