ISIS Neutron and Muon Source Data Journal

The conversion kinetics and adsorption potential of molecular hydrogen probed by energy-dispersive neutron imaging

Abstract: The study and characterisation of the physical adsorption of molecular hydrogen in porous materials is of primary interest for efficient and green transport technology. Adsorption zero-point energy, only recently included in state-of-the-art computer simulations, reduces the H2 uptake levels. Following some preliminary results, based on neutron transmission and neutron Compton scattering at the VESUVIO spectrometer, we suggest that the adsorption zero-point energy, increasing the kinetic energy of the molecule's centre of mass, changes the temperature-dependent concentrations of the para- and ortho- modifications of molecular hydrogen. Given the exquisite sensitivity of neutrons to the difference in the cross sections of the two forms, we suggest that energy-dispersive neutron imaging can be used as a spectroscopic probe to reconstruct the hydrogen-adsorption potential energy surface.

Principal Investigator: Professor Giovanni Romanelli
Experimenter: Dr Winfried Kockelmann
Local Contact: Dr Anna Fedrigo

DOI: 10.5286/ISIS.E.RB2010770

ISIS Experiment Number: RB2010770

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:
Professor Giovanni Romanelli et al; (2021): The conversion kinetics and adsorption potential of molecular hydrogen probed by energy-dispersive neutron imaging, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2010770

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