ISIS Neutron and Muon Source Data Journal

This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.


Investigation of diffusion of branched alkanes in ZSM5

Abstract: The diffusion coefficients of monobranched and dibranched (methyl)hexane and octane in industrially important zeolite ZSM5 will be measured along with their straight chain analogues using quasi-elastic neutron scattering. The diffusion coefficients of 2-methylpentane and 2-methyl heptane will also be measured as these have the same number of carbon atoms as n-hexane and n-octane respectively, but contain a degree of branching. The aim of the study is to investigate the effect of molecular shape on the diffusion of n-alkanes in ZSM5 compared to their branched analogues. Diffusivities obtained will be compared with molecular dynamics simulations currently being performed at UCL, in order to determine whether branching encourages observed behaviours such as resonant diffusion, providing a more realistic investigation into the conversion/separation processes of the petrochemical industry.

Public release date: 13 March 2016

Principal Investigator: Professor Richard Catlow
Experimenter: Professor Stewart Parker
Experimenter: Dr Alexander O'Malley
Experimenter: Dr Peter Wells
Experimenter: Mr Wilm Jones
Experimenter: Dr Nikolaos Dimitratos

DOI: 10.5286/ISIS.E.24090121

ISIS Experiment Number: RB1220109

Part Number: 1 - OSIRIS

Date of Experiment: 06 March 2013

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

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

For Example:
Professor Richard Catlow et al; (2013): Investigation of diffusion of branched alkanes in ZSM5, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.24090121



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