A study on the bonding structure of CaO-SiO2 slag by means of molecular dynamics simulation

Authors
Xu, KD Jiang, GC Huang, SP You, JL
Citation
Kd. Xu et al., A study on the bonding structure of CaO-SiO2 slag by means of molecular dynamics simulation, SCI CHINA E, 42(1), 1999, pp. 77-82
Citations number
10
Categorie Soggetti
Engineering Management /General
Journal title
SCIENCE IN CHINA SERIES E-TECHNOLOGICAL SCIENCES
ISSN journal
20950624 → ACNP
Volume
42
Issue
1
Year of publication
1999
Pages
77 - 82
Database
ISI
SICI code
2095-0624(199902)42:1<77:ASOTBS>2.0.ZU;2-A
Abstract
The investigation results of the bonding structure of CaO-SiO2 slag by mean s of molecular dynamics simulation are presented. The characteristics of pa rtial radial distribution function g(ij)(r) are in goad agreement with the measurement of X-ray diffraction, and the variation of Q(n) with different SiO4 tetrahedra following the change of X-CaO is consistent with the result s of Raman spectroscopy. The partial vibrational density of states Gamma(Si )(omega) shows that two bands appear in the range of 636-737 cm(-1) and 800 -1 200 cm(-1) respectively which are also consistent with Raman spectroscop y.