ISIS Neutron and Muon Source Data Journal

Site-specific adsorption and local dynamics of water molecules in natural zeolite: the neutron Compton scattering view

Abstract: Already in the low temperature region of water adsorption behaviour in natural zeolites, the faujasites, two important questions arise that require further investigation: (i) what is the most likely configuration of water molecules of tetrahedral symmetry inside the faujasite cages, and (ii) what is the possible role of nuclear quantum tunnelling (NQT) in the dynamics of confined water molecules. This proposal aims at shedding more light on these two important questions by performing Neutron Compton scattering (NCS) experiments on H2O confined in the NaY faujasite network across three temperature regions (i) liquid-to-liquid transition of water at 225 K, (ii) fragile to strong water dynamics crossover, and (iii) water crystallization below 160 K, at three different water loading levels in the faujasite framework.

Principal Investigator: Dr JOSE MARTINEZ-GONZALEZ
Experimenter: Dr Matthew Krzystyniak
Experimenter: Professor Giovanni Romanelli
Experimenter: Dr Matthias Gutmann

DOI: 10.5286/ISIS.E.RB1910008

ISIS Experiment Number: RB1910008

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr JOSE MARTINEZ-GONZALEZ et al; (2019): Site-specific adsorption and local dynamics of water molecules in natural zeolite: the neutron Compton scattering view , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1910008

Data is released under the CC-BY-4.0 license.