HIGH-PRESSURE NEUTRON-DIFFRACTION ON LIQUID SULFUR-HEXAFLUORIDE AND INTERPRETATION BY STATISTICAL-MECHANICAL THEORIES AND COMPUTER-SIMULATIONS

Citation
G. Strauss et al., HIGH-PRESSURE NEUTRON-DIFFRACTION ON LIQUID SULFUR-HEXAFLUORIDE AND INTERPRETATION BY STATISTICAL-MECHANICAL THEORIES AND COMPUTER-SIMULATIONS, The Journal of chemical physics, 101(1), 1994, pp. 662-671
Citations number
45
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
101
Issue
1
Year of publication
1994
Pages
662 - 671
Database
ISI
SICI code
0021-9606(1994)101:1<662:HNOLSA>2.0.ZU;2-8
Abstract
High pressure neutron diffraction measurements of the static structure factor of fluid SF6 are presented. The density of the liquid was vari ed in a range of rho=0.85 g cm(-3) up to rho=1.85g cm(-3) at the super critical temperature 398 K. Aspects of the measurements and data evalu ation, as far as they are specific for high pressure studies, are disc ussed. The intramolecular structure parameters are determined. The mea surements were interpreted with statistical mechanical calculations (X RISM) as well as reverse Monte Carlo (RMC) calculations. The individua l atom pair correlation functions are given and their dependence on de nsity is discussed. An intermolecular potential of (12-6) LJ-type with added point charges is deduced. The density dependent measurements pr oved to be useful for appraising the intermolecular potential.