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Author Leheny, R. L. ♦ Menon, N. ♦ Nagel, S. R. ♦ Long Price, D. ♦ Suzuya, K. ♦ Thiyagarajan, P.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword CHEMISTRY ♦ PROPYLENE ♦ NEUTRON DIFFRACTION ♦ GLYCOLS ♦ PHASE TRANSFORMATIONS ♦ COMPUTERIZED SIMULATION ♦ ORDER PARAMETERS ♦ MELTING POINTS ♦ HYDROGEN BONDS ♦ GLASS TRANSFORMATIONS ♦ MOLECULAR DYNAMICS CALCULATIONS
Abstract We have performed neutron diffraction experiments on deuterated propylene glycol, an organic glass former, at temperatures ranging from where its dynamical response approaches that of normal liquids to below the point where relaxation times appear to diverge. Our studies extend over a very broad range of scattering wave vector (0.01{lt}{ital Q}{lt}30 A{sup {minus}1}). In contrast to models which predict clustering, we find no evidence in the liquid at any temperature for heterogeneities large on molecular scales. However, we do note subtle changes at shorter lengths. Using molecular dynamics simulations to model our results, we identify these changes with increasing density and increasing orientational order induced by hydrogen bonding in the liquid as it cools. Analysis of the orientational correlations between molecules reveals a strong dependence on their relative positions. {copyright} {ital 1996 American Institute of Physics.}
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 1996-11-01
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 105
Issue Number 17


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