Published July 1992
| Version v1
Journal article
Calculation of thermodynamic properties of liquid and amorphous oxides 2MeOxSiO2 (Me = Mg, Fe, Ca, Sr, Ba)
- 1. Moskovskij Inst. Stali i Splavov, Moscow (Russian Federation)
Description
Methods of continuous static relaxation and molecular dynamics were used to calculate changes of volume, energy, Gibbs energy, and entropy under formation of oxides of 2MeOxSiO2 series from simple MeO (Me = Mg, Fe, Ca, Sr, Ba) and SiO2 oxides at 0 and 2000 K. Only Coulomb interaction and Born-Mayer ion shell repulsion were taken into account. It is shown that rearrangement of oxide structure takes place in the range of ion shell repulsion parameter B13 = 1900-3300 eV; changes of volume and entropy depend on B13 nonmonotonously at that
Additional details
Additional titles
- Original title (Russian)
- Расчет термодинамических свойств жидких и аморфных оксидов 2MeOxSiO
Publishing Information
- Journal Title
- Zhurnal Fizicheskoj Khimii
- Journal Volume
- 66
- Journal Issue
- 7
- Journal Page Range
- p. 1753-1763.
- ISSN
- 0044-4537
- CODEN
- ZFKHA9
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- Russian Federation
- INIS RN
- 25051025
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- AMORPHOUS STATE; CHEMICAL BONDS; COMPUTER CALCULATIONS; INTERATOMIC FORCES; LIQUIDS; MATHEMATICAL MODELS; SILICON OXIDES; STRONTIUM OXIDES; TEMPERATURE RANGE 0000-0013 K; TEMPERATURE RANGE 1000-4000 K; THERMODYNAMIC PROPERTIES
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; CHALCOGENIDES; FLUIDS; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; SILICON COMPOUNDS; STRONTIUM COMPOUNDS; TEMPERATURE RANGE