ISIS Neutron and Muon Source Data Journal

The interaction of C6Hx (x = 6, 8, 10, 12) with Raney Ni

Abstract: Fuels such as diesel contains different kinds of aromatic and poly aromatic compounds, which on their combustion emits environmental pollutants such as SOx, NOx, COx, and unburnt polycyclic aromatic hydrocarbons (PAH). These PAHs are not only environmental pollutants but are also increasingly associated with probable causes of several human diseases such as asthma and lung-cancer. Therefore, reducing the concentration of aromatic compounds in fuels during the refining process is of great importance. To attain this objective in this work, we would like to perform a detailed study on the fundamental interactions of benzene, cyclohexadiene, cyclohexene and cyclohexane on Ni as catalyst using Inelastic Neutron Spectroscopy (INS) and van der Waals Density Functional Theory (vdW-DFT). Here, we use the sequential hydrogenation of benzene as a relatively simple model for PAHs.

Principal Investigator: Dr Arunabhiram Chutia
Experimenter: Professor Richard Catlow
Experimenter: Professor Stewart Parker
Experimenter: Dr Ian Silverwood
Experimenter: Dr Arunabhiram Chutia

DOI: 10.5286/ISIS.E.RB1720399

ISIS Experiment Number: RB1720399

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 Arunabhiram Chutia et al; (2017): The interaction of C6Hx (x = 6, 8, 10, 12) with Raney Ni, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720399

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