Exploring molecular segregation in methanol/water mixtures using polarized neutron diffraction
The possible existence of molecular segregation in mixtures of methanol and water remains an open question. While the EPSR analysis of a complete series of neutron diffraction data using isotopic substitution led the authors to suggest an incomplete mixing of both species at the molecular level, recent simulation results complemented with neutron and x-ray diffraction experiments do not support this view. Tuning the model parameters in the potential employed in the simulation it is possible to favour the demixing of methanol and water. Using this approach we have generated two different liquid models for the methanol/water solutions (one perfectly mixed and another significantly demixed). Our results indicate that the differences between both models could be resolved experimentally by measuring the static structure factor of the H/D mixtures, i.e. x(CD3OH).(1-x)(H2O) and x(CH3OD).(1-x)(D2O). In order to explore this hypothesis, we ask for 5 days of beamtime in order to study the room-temperature structure of a methanol-water mixture with x=0.7.
The data is currently only available to download if you are a member of the proposal team.
The recommended format for citing this dataset in a research publication is in the following format:
GONZALEZ Miguel Angel; COLOGNESI Daniele; DE PANFILIS Simone; FORMISANO Ferdinando and STUNAULT Anne. (2023). Exploring molecular segregation in methanol/water mixtures using polarized neutron diffraction. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-02-638
This data is not yet public
This data is not yet public
ILL has partnered with DataCite as the registration agency
for data persistent identifiers.