High-pressure neutron diffraction on fluid carbon tetrafluoride and interpretation by reverse Monte Carlo simulations

Abstract

Neutron scattering experiments on carbon tetrafluoride (CF4) at high pressure were performed along the 370 K isotherm at three supercritical densities, covering a density range from ρ=1.07 to 1.26 g cm−3. The structure factors of the investigated thermodynamic states and the weighted sums of the atom pair correlation functions are presented. The variation of the density has only a weak effect on the structure factors. The experimentally obtained total atom pair correlation functions are interpreted with reverse Monte Carlo simulations. The atom pair correlation functions and angular distribution functions indicate a completely disordered arrangement of the molecules in fluid CF4 with no significant short-range orientational order, except for very close distances.