Neutron diffraction experiments on a fluid, equimolar mixture of methane and carbon tetrafluoride

Citation
H. Bertagnolli et al., Neutron diffraction experiments on a fluid, equimolar mixture of methane and carbon tetrafluoride, MOLEC PHYS, 96(7), 1999, pp. 1075-1082
Citations number
38
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
96
Issue
7
Year of publication
1999
Pages
1075 - 1082
Database
ISI
SICI code
0026-8976(19990410)96:7<1075:NDEOAF>2.0.ZU;2-Q
Abstract
A neutron scattering investigation is reported on an equimolar mixture of m ethane and carbon tetrafluoride along the 370 K isotherm for four different thermodynamic states in a pressure range 270-800 bar, the aim of which was to provide more structural data about this non-ideal system. The fully cor rected coherent differential cross-section is presented. The weighted sum o f the total atom pair correlation functions is separated into the intramole cular and intermolecular contributions and the structural parameters of the molecules in the fluid state are determined. The density dependence of the intermolecular atom pair correlation functions is clearly visible. The exp erimental results are compared with previous experiments on the pure compon ents and XRISM calculations, based on a one-centre Lennard-Jones potential.