Quantum Effects in Water: Proton Kinetic Energy Maxima in Stable and Supercooled Liquid



Título del documento: Quantum Effects in Water: Proton Kinetic Energy Maxima in Stable and Supercooled Liquid
Revue: Brazilian journal of physics
Base de datos: PERIÓDICA
Número de sistema: 000403519
ISSN: 0103-9733
Autores: 1
2
2
3
Instituciones: 1Universita degli Studi di Milano-Bicocca, Dipartimento di Fisica "G. Occhialini", Milán, Lombardia. Italia
2Universita degli Studi di Roma "Tor Vergata", Dipartimento di Fisica, Roma, Lazio. Italia
3Science and Technology Facilities Council, ISIS Pulsed Neutron and Muon Source, Oxford, Oxfordshire. Reino Unido
Año:
Periodo: Jun
Volumen: 39
Número: 2
Paginación: 318-321
País: Brasil
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Analítico
Resumen en inglés A strong temperature dependence of proton mean kinetic energy was observed for liquid water around the density maximum and for moderately supercooled water. Line shape analysis of proton momentum distribution, determined from deep inelastic neutron scattering measurements, shows that there are two proton kinetic energy maxima, one at the same temperature of the macroscopic density maximum at 277 K, and another one in the supercooled phase located around 270 K. The maximum at 277 K is a microscopic quantum counterpart of the macroscopic density maximum, where energetic balance giving rise to the local water structure is manifest in the temperature dependence of kinetic energy. The maximum in the supercooled phase, with higher kinetic energy with respect to stable phases, is associated to changes in the proton potential as the structure evolves with a large number of H-bond units providing both stronger effective proton localization, as well as proton quantum delocalization
Disciplinas: Física y astronomía,
Química
Palabras clave: Teoría cinética y plasmas,
Fisicoquímica y química teórica,
Agua,
Líquidos,
Funciones de distribución
Keyword: Physics and astronomy,
Chemistry,
Kinetic theory and plasma,
Physical and theoretical chemistry,
Water,
Liquids,
Distribution functions
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