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Collective dynamics of liquid HCl: The density and longitudinal current correlations

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2003
American Institute of Physics Melville, NY

The journal of chemical physics 118, 202 - 208 () [10.1063/1.1524620]

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Abstract: In this work the dynamics of density fluctuations in liquid HCl is investigated by computer simulation experiments, with the main goal of ascertaining the influence of hydrogen bonding in the features of the collective excitations of this molecular fluid. The data analysis shows that in HCl the hydrogen bonding has quite a small relevance on the dynamics, in strong contrast with the findings reported for both HF and water. Within the framework of generalized hydrodynamics we have been able to derive values for otherwise unknown quantities like the ratio of specific heats and the adiabatic sound velocity. An evaluation of the average effective interaction potential between the molecular centers of mass, clarifies the interpretation of the collective dynamical behavior explored in the present investigation. (C) 2003 American Institute of Physics.

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Note: Record converted from VDB: 12.11.2012

Contributing Institute(s):
  1. Zentralinstitut für Angewandte Mathematik (ZAM)
Research Program(s):
  1. Betrieb und Weiterentwicklung des Höchstleistungsrechners (I03)

Appears in the scientific report 2003
Notes: Nachtrag
Notes: This version is available at the following Publisher URL: http://jcp.aip.org
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