Volume 37, Number 5, February II 1997
|Page(s)||329 - 334|
|Section||Condensed matter: structure, thermal and mechanical properties|
|Published online||01 September 2002|
Temperature dependence of molecular kinetic energy in dense fluid parahydrogen
Dipartimento di Fisica e Istituto Nazionale di Fisica della Materia, Università di Roma “Tor Vergata” - Via della Ricerca Scientifica 1, Roma, Italy
2 Dipartimento di Fisica e Istituto Nazionale di Fisica della Materia, Università di Roma III - Via della Vasca Navale 86, Roma, Italy
3 ISIS Facility, Rutherford Appleton Laboratory, Chilton - Didcot, OX11 0QX, UK
Accepted: 10 January 1997
We present an experimental and path integral Monte Carlo study of the single-molecule dynamics in fluid parahydrogen. The experiment consists in an inelastic neutron scattering determination of the translational kinetic energy, , as a function of temperature at a density close to the triple point. Experimental and simulated values of are found to be in good agreement in the investigated temperature range. Discrepancies are found with a simple harmonic model parametrized by the value of the zero-point kinetic energy.
PACS: 67.20.+k – Quantum effects on the structure and dynamics of nondegenerate fluids (e.g., normal phase liquid ) / 61.12.Ex – Neutron scattering techniques (including small-angle scattering) / 61.25.Em – Molecular liquids
© EDP Sciences, 1997
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