Regensburg 2010 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 32: Poster: Liquids and Ionic Liquids

CPP 32.3: Poster

Wednesday, March 24, 2010, 17:30–19:00, Poster C

Temperature dependent structure of liquid water investigated by means of energy-dispersive X-ray diffraction and molecular dynamic simulations — •Christa Guse, Arnold Simionescu, Benjamin Schünemann, Reinhard Hentschke, and Hartwin Bomsdorf — Fachbereich Mathematik und Naturwissenschaften, Bergische Universität, D-42097 Wuppertal, Germany

X-ray diffraction is investigated in the supercooled region (-10^∘ C to 0^∘ C) and, for comparison, at ambient conditions. By means of an energy-dispersive setup coherent X-ray scatter cross-sections within a wide range of momentum transfer values are monitored simultaneously using relatively simple laboratory equipment. The data are corrected for the energy dependent detector response, geometric broadening effects, sample absorption and Compton-scattering. The corrected diffraction curves are in good agreement with results from the ALS experiment. Additional comparisons with available literature data and with computer simulation results of different rigid water models are presented, relating the scattering intensities to the microscopic H-bond structure and dynamics.