The intermolecular hydrogen--hydrogen structure of chain--molecule liquids from neutron diffraction

Journal Article · Mon Oct 31 23:00:00 EST 1994 · Journal of Chemical Physics; (United States)

DOI:https://doi.org/10.1063/1.468212· OSTI ID:6916008

Londono, J D; Annis, B K ^[1]; Turner, J Z; Soper, A K ^[2]

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1. Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6197 (United States)
2. ISIS Science Division, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11-OQX (United Kingdom)

Neutron diffraction isotopic substitution experiments on liquid [ital n]-decane (C[sub 10]H[sub 22]) and [ital n]-eicosane (C[sub 20]H[sub 42]) are described. The intermolecular H--H structure function [ital h][sub HH]([ital Q]) and the intermolecular H--H correlation function [ital g][sup inter][sub HH]([ital r]) are obtained without recourse to models of the intramolecular structure. The structure of the [ital g][sup inter][sub HH]([ital r]) found at 2.5, 5.0, and 7.0 A corresponds to different shells in the H--H pair correlation function. In addition, [ital g][sup inter][sub HH]([ital r])[lt]1 for a considerable range, due to the screening of intermolecular correlations by intramolecular correlations. This correlation hole'' effect is accentuated by extrapolation of the structure functions to the expected infinite wavelength limit, and shows good agreement with values determined from small-angle neutron scattering (SANS) data. All of these features are in good agreement with the results of molecular dynamics simulations for the closely related system C[sub 13]H[sub 28].

• OSTI ID: 6916008
• Journal Information: Journal of Chemical Physics; (United States), Journal Name: Journal of Chemical Physics; (United States) Vol. 101:9; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
ALKANES
COHERENT SCATTERING
CORRELATION FUNCTIONS
DECANE
DIFFRACTION
ELEMENTS
FLUIDS
FUNCTIONS
HYDROCARBONS
HYDROGEN
INTERMOLECULAR FORCES
ISOTOPIC EXCHANGE
LIQUIDS
NEUTRON DIFFRACTION
NONMETALS
ORGANIC COMPOUNDS
SCATTERING
STRUCTURE FACTORS