ACTIVE-CENTERS OF MAGNESIUM-OXIDE SURFACE AND CALCULATIONS OF DISSOCIATIVE CHEMISORPTION OF METHANE ON MODIFIED MGO

被引：18

作者：

ZHIDOMIROV, GM ^{[1
]}

ZHANPEISOV, NU ^{[1
]}

机构：

[1] NOVOSIBIRSK CATALYSIS INST,NOVOSIBIRSK 630090,USSR

来源：

CATALYSIS TODAY | 1992年 / 13卷 / 04期

关键词：

D O I：

10.1016/0920-5861(92)80073-V

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

In the framework of supermolecular approach using MINDO/3 method the various channels of dissociative chemisorption of methane molecule on pure and lithium doped magnesium oxide surfaces are considered. On the basis of the obtained calculation results the possible ways of methane activation on MgO and Li/MgO are discussed.

引用

收藏

页码：517 / 522

页数：6

相关论文

共 15 条

[1]

BUYEVSKAYA OV, 1991, THESIS NOVOSIBIRSK U

[2] CHARACTERIZATION AND REACTIVITY OF MOLECULAR-OXYGEN SPECIES ON OXIDE SURFACES [J].

CHE, M ;

TENCH, AJ .

ADVANCES IN CATALYSIS, 1983, 32 :1-148

[3] DEFECTIVE NON-PLANAR SURFACES OF MGO [J].

COLBOURN, EA ;

KENDRICK, J ;

MACKRODT, WC .

SURFACE SCIENCE, 1983, 126 (1-3) :550-557

[4] DEVELOPMENT AND STATUS OF MINDO/3 AND MNDO [J].

DEWAR, MJS .

JOURNAL OF MOLECULAR STRUCTURE, 1983, 100 (JUL) :41-50

[5] EFFECTS OF COORDINATION-NUMBER ON SURFACE IONS - AN ABINITIO STUDY OF LIF AND MGO [J].

FOWLER, PW ;

TOLE, P .

SURFACE SCIENCE, 1988, 197 (03) :457-473

[6] ISOTOPIC STUDY OF HYDROGEN ADSORPTION ON MAGNESIUM-OXIDE POWDERS [J].

ITO, T ;

MURAKAMI, T ;

TOKUDA, T .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1983, 79 :913-924

[7] SYNTHESIS OF ETHYLENE AND ETHANE BY PARTIAL OXIDATION OF METHANE OVER LITHIUM-DOPED MAGNESIUM-OXIDE [J].

ITO, T ;

LUNSFORD, JH .

NATURE, 1985, 314 (6013) :721-722

[8] ACTIVATION OF METHANE ON THE MGO SURFACE AT LOW-TEMPERATURES [J].

ITO, T ;

TASHIRO, T ;

WATANABE, T ;

TOI, K ;

IKEMOTO, I .

CHEMISTRY LETTERS, 1987, (09) :1723-1726

[9] SURFACE-AREA AND THE MECHANISM OF HYDROXYLATION OF IONIC OXIDE SURFACES [J].

JONES, CF ;

REEVE, RA ;

RIGG, R ;

SEGALL, RL ;

SMART, RS ;

TURNER, PS .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1984, 80 :2609-&

[10] THEORETICAL APPROACH TO THE BASICITY OF ALKALINE-EARTH-METAL OXIDE CATALYSTS - RELATIONSHIP BETWEEN BASICITY AND SURFACE-STRUCTURE OF MAGNESIUM-OXIDE [J].

KAWAKAMI, H ;

YOSHIDA, S .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1984, 80 :921-932