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  Bulk and Confined Benzene-Cyclohexane Mixtures Studied by an Integrated Total Neutron Scattering and NMR Method

Hughes, T.-L., Falkowska, M., Leutzsch, M., Sederman, A. J., Mantle, M. D., Headen, T. F., et al. (2021). Bulk and Confined Benzene-Cyclohexane Mixtures Studied by an Integrated Total Neutron Scattering and NMR Method. Topics in Catalysis, 64(8), 722-734. doi:10.1007/s11244-021-01437-w.

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 Creators:
Hughes, Terri-Louise1, Author
Falkowska, Marta1, Author
Leutzsch, Markus2, Author              
Sederman, Andrew J.2, Author
Mantle, Mick D.2, Author
Headen, Thomas F.3, Author
Youngs, Tristan G. A.3, Author
Bowron, Daniel T.3, Author
Hardacre, Christopher1, Author
Affiliations:
1Department of Chemical Engineering and Analytical Science, The University of Manchester, Manchester, M13 9PL, UK, ou_persistent22              
2Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, Cambridge, CB3 0AS, UK, ou_persistent22              
3STFC ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, OX1 10QX, Oxon, UK, ou_persistent22              

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Free keywords: Catalysis; EPSR; TNS; NMR; Confinement
 Abstract: Herein mixtures of cyclohexane and benzene have been investigated in both the bulk liquid phase and when confined in MCM-41 mesopores. The bulk mixtures have been studied using total neutron scattering (TNS), and the confined mixtures have been studied by a new flow-utilising, integrated TNS and NMR system (Flow NeuNMR), all systems have been analysed using empirical potential structure refinement (EPSR). The Flow NeuNMR setup provided precise time-resolved chemical sample composition through NMR, overcoming the difficulties of ensuring compositional consistency for computational simulation of data ordinarily found in TNS experiments of changing chemical composition—such as chemical reactions. Unique to the liquid mixtures, perpendicularly oriented benzene molecules have been found at short distances from the cyclohexane rings in the regions perpendicular to the carbon–carbon bonds. Upon confinement of the hydrocarbon mixtures, a stronger parallel orientational preference of unlike molecular dimers, at short distances, has been found. At longer first coordination shell distances, the like benzene molecular spatial organisation within the mixture has also found to be altered upon confinement.

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Language(s): eng - English
 Dates: 2021-04-232021-08-01
 Publication Status: Published in print
 Pages: 13
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1007/s11244-021-01437-w
 Degree: -

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Title: Topics in Catalysis
  Abbreviation : Top. Catal.
Source Genre: Journal
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Publ. Info: New York : Springer
Pages: - Volume / Issue: 64 (8) Sequence Number: - Start / End Page: 722 - 734 Identifier: ISSN: 1022-5528
CoNE: https://pure.mpg.de/cone/journals/resource/954925584249