Investigation of diffusion of branched alkanes in ZSM5


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.

Metadata Access
Creator Professor Stewart Parker; Professor Richard Catlow; Dr Alexander O'Malley; Dr Peter Wells; Mr Wilm Jones; Dr Nikolaos Dimitratos
Publisher ISIS Neutron and Muon Source
Publication Year 2016
Rights CC-BY Attribution 4.0 International;
OpenAccess true
Contact isisdata(at)
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2013-03-06T08:20:20Z
Temporal Coverage End 2013-03-13T09:45:04Z