HIGH-PRESSURE PROPERTIES OF THE BCC PHASE OF SF(6) BASED UPON SPHERICALLY SMOOTHED INTERMOLECULAR POTENTIALS

Citation
Aa. Helmy et al., HIGH-PRESSURE PROPERTIES OF THE BCC PHASE OF SF(6) BASED UPON SPHERICALLY SMOOTHED INTERMOLECULAR POTENTIALS, Zeitschrift für physikalische Chemie, 187, 1994, pp. 203-211
Citations number
22
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
ISSN journal
09429352
Volume
187
Year of publication
1994
Part
2
Pages
203 - 211
Database
ISI
SICI code
0942-9352(1994)187:<203:HPOTBP>2.0.ZU;2-B
Abstract
Properties of solid SF6 at T = 0 K are investigated using different in termolecular potentials. These potentials were constructed from differ ent gas properties such as second virial coefficient, structural secon d virial coefficient and viscosity data without appeal to any solid st ate structural or spectroscopic data. A computer simulation study usin g a simple lattice sum, on a body centered cubic lattice, has been use d to obtain the sublimation energy, the equation of state and bulk mod ulus (which appear not to be reported before).