X-ray diffraction study and models of liquid ethylene at 106 K

Journal Article · Tue Sep 15 04:00:00 EDT 1981 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.442403· OSTI ID:6262798

Narten, A H; Habenschuss, A

X-ray diffraction data for liquid ethylene near the melting point are presented. The data are analyzed using scattering factors for --CH/sub 2/ groups which permits extraction of the intermolecular carbon--carbon structure and distribution functions. Atom pair potentials derived from studies on crystalline hydrocarbons are used with the reference interaction site model (RISM) to predict structure and distribution functions for a dense ethylene-like fluid, and these are compared to the curves derived from the diffraction study. Site--site interaction potentials give an adequate description of liquid ethylene, provided that the attractive forces are averaged over the --CH/sub 2/ groups with repulsive ''bulges'' at the hydrogen positions in the C/sub 2/H/sub 4/ molecule. Although --CH/sub 2/ groups are ''seen'' by x rays as spherically symmetric, the hydrogen atoms have a significant effect on the carbon--carbon correlations in liquid ethylene near the triple point.

• Research Organization: Chemistry Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830
• OSTI ID: 6262798
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 75:6; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
ALKENES
COHERENT SCATTERING
CORRELATIONS
DIFFRACTION
DISTRIBUTION FUNCTIONS
ETHYLENE
FLUIDS
FUNCTIONS
HYDROCARBONS
LIQUIDS
LOW TEMPERATURE
ORGANIC COMPOUNDS
SCATTERING
STRUCTURE FACTORS
X-RAY DIFFRACTION