ISIS Neutron and Muon Source Data Journal

Neutron Diffraction Studies of Metal-Organic Frameworks for Hydrocarbon Separations

Abstract: Separation of light hydrocarbons is a highly challenging and energy-intensive industrial process. We seek to develop highly robust MOF materials as efficient sorbents for hydrocarbon separation and request 4 days on WISH to study the preferred binding sites and locations of adsorbed gas (CO2/C2D2/C2D4/C2D6/C3D6/C3D8) within a top-performing MOF, CALF-20. This proposed study will investigate the precise locations of light hydrocarbon molecules and CO2, defining the preferred orientation of molecules with respect to the binding sites in CALF-20. CALF-20 exhibits exceptionally high separation property for mixtures of CO2/C2H4, CO2/C2H2, C2H2/C2H4/C2H6 and C3H6/C3H8 at ambient conditions with fully repeatable cycles, suggesting the presence of specific guest-host interaction. The proposed study aims to reveal the nature of these interactions through structural insights into the pore .

Principal Investigator: Professor Sihai Yang
Experimenter: Dr Yinlin Chen
Experimenter: Mr Xiangdi Zeng
Experimenter: Dr Bing An
Experimenter: Dr Jiangnan Li
Experimenter: Miss Danielle Crawshaw
Experimenter: Professor Martin Schroder
Local Contact: Dr Pascal Manuel

DOI: 10.5286/ISIS.E.RB2220042

ISIS Experiment Number: RB2220042

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 Sihai Yang et al; (2022): Neutron Diffraction Studies of Metal-Organic Frameworks for Hydrocarbon Separations, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2220042

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