Molecular structure and dynamics of liquids: aqueous urea solutions.
In this review a multi-technical approach to the analysis of the structure and dynamics of the urea/water system is described. The reorientational movement of the solute molecule is investigated by the analysis of spectral band-shapes, as well as with the use of the optical Kerr effect (OKE) and molecular dynamics simulation (MDS). The effect of solute concentration on the structure and dynamics of the aqueous solutions (aggregation, orientational distribution, solvation...) is studied by molecular dynamics simulation and neutron scattering. The results obtained by other techniques are included to provide a critical analysis. Finally, the low-frequency Raman spectra of the system are interpreted on the basis of the semi-quantitative information obtained by molecular dynamics simulation.
Idrissi
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Laboratoire de Spectrochimie Infrarouge et Raman (LASIR UPR A2632L), Centre d'Etudes et de Recherches Lasers et Applications, Université des Sciences et Technologies de Lille, 59655 Villeneuve d'Ascq Cedex, France. nacer.idrissi@univ-lille1.fr
D015394:Molecular Structure; D012996:Solutions / Q000737:chemistry; D013059:Spectrum Analysis, Raman; D014508:Urea / Q000737:chemistry* / Q000494:pharmacology; D014867:Water / Q000737:chemistry*
D012996:Solutions; D014867:Water; D014508:Urea