Structure factor determination of deuterated 1- and 2-propanol using diffraction experiments with polarization analysis

Abstract

We present the experimental structure factors of deuterated 1- and 2-propanol as determined at the Spin Polarized Hot Neutron Beam Facility (D3) of the Institut Laue Langevin. Polarized neutron scattering with polarization analysis has the advantage of experimentally separating the coherent and incoherent scattering intensities. Using a linear combination of non-spin-flip and spin-flip diffractograms, one can determine the coherent intensity, related to the structure factor. The corrections of experimental data for multiple scattering, attenuation and inelasticity are carried out using a Monte Carlo (MC) simulation code developed for this kind of experiments. This (hybrid) MC method is based on the combination of a modelled energy exchange and the experimental angular distribution. The good agreement observed between our simulations and the experimental results, confirms the goodness of this model. We also compare our results with experimental data from other authors and we stress the need of more experimental data in the low- region.

Keywords:

• liquids
• Monte Carlo
• neutron diffraction
• polarization
• structure

Acknowledgements

The authors thank Sebastien Vial for the technical support during the experiments on D3. The beam time provided by the Institut Laue Langevin (Grenoble, France) is gratefully acknowledged (proposal 6-02-543) [12]. JD and LARP wish to thank Argentinean Council for Scientific and Technological Research (CONICET) and Argentinean Agency for Scientific and Technological Promotion (ANPCyT) for the financial support via the [grant number PIP-11220110100552], [PICT-2011-534], respectively.

Notes

No potential conflict of interest was reported by the authors.

Additional information

Funding

This work was supported by Argentinean Council for Scientific and Technological Research (CONICET) [grant number PIP-11220110100552]; Argentinean Agency for Scientific and Technological Promotion (ANPCyT) for the [grant number PICT-2011-534].