ISIS Neutron and Muon Source Data Journal

Molecular structure of long-chain n-alkanes using mixtures of isotopologues and small-angle scattering

Abstract: Isotopologues (chemically identical molecules that are isotopically distinguishable) are unique and insightful tools for introducing contrast in neutron scattering experiments, and there is no other way to achieve this in organic systems with minimal perturbation to the system. Mixture of these have enabled past experiments of linear hydrocarbon molecules. The limitation is that either small molecules are studied, which are poor models for macromolecules, or polymers have been studied, which have an innate distribution in molar mass (dispersity). We will overcome this by studying mixtures of isotopologues of the longest chain hydrocarbon molecules available (C20 or n-eicosane and C30 or n-triacontane) along with a benchmark alkane (C10 or n-decane). Data from these mixtures will be modelled using the Debye model for chains in a good solvent, which will enable us to determine the radius of gyration of the molecules as the chain gets longer. Our ultimate goal is to identify the optimal model linear alkane for polyethylene to enable future work on polymer-polymer and polymer-inorganic mixtures.

Experimenter: Dr Matthew Potter
Local Contact: Dr Gregory Smith

DOI: 10.5286/ISIS.E.RB2610002

ISIS Experiment Number: RB2610002

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 Matthew Potter et al; (2026): Molecular structure of long-chain n-alkanes using mixtures of isotopologues and small-angle scattering, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610002

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