MOLECULAR-DYNAMICS STUDIES OF ZNAL2O4 SPINEL

被引：1
|
作者：
ALVAREZ, LJ
BOSCH, P
VALENZUELA, MA
机构：
[1] UNIV AUTONOMA METROPOLITANA IZTAPALAPA,DEPT QUIM,MEXICO CITY 09340,DF,MEXICO
[2] INST MEXICANO PETR,MEXICO CITY 07730,DF,MEXICO
来源：
CATALYSIS LETTERS | 1993年 / 22卷 / 04期
关键词：
MOLECULAR DYNAMICS; ZNAL2O4; SPINEL STRUCTURE; XRD; IR;
D O I：
暂无
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Molecular dynamics simulations of ZnAl2O4 spinel have been carried out at 300 and 800 K. Comparison with experimental data shows that at low temperature the most favorable configuration is that of a mixed spinel. As temperature increases the structural transformation becomes more evident. A detailed interpretation of the experimental vibrational spectrum and radial distribution functions is obtained.
引用
收藏
页码：361 / 372
页数：12
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