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
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.