Structure and thermodynamic properties of 2MeO&middotSiO2 oxides with small-sized Me2 ions

被引：0

作者：

Belashchenko, D.K.

机构：

来源：

Izvestia Akademii nauk SSSR. Metally | 1994年 / 01期

关键词：

Barium compounds - Iron oxides - Lime - Magnesia - Models - Molecular structure - Polymerization - Silica - Simulation - Slags - Strontium compounds - Thermodynamic properties;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

By the methods of molecular dynamics and continuous static relaxation, models for hypothetical 2MeO&middotSiO2 oxides with small-sized Me2 ions are synthesized. The models contain 497 particles in the basic cube each with periodic boundary conditions. The Borne-Meyer pair potentials are used with regard for Coulomb interaction by the Evald-Ansen method. The structural and configuration characteristics of the oxides are analyzed. The Gibbs energies, entropies, and component activities in the homologous series of 2MeO&middotSiO2 oxides are calculated.

引用

页码：46 / 56