Data supporting "Structure and properties of ‘Type IV’ lanthanide nitrate hydrate:urea deep eutectic solvents"
This dataset contains reduced neutron and X-Ray scattering data. These data can be used to model and determine the nanostructure of novel 'Type IV' lanthanide nitrate hydrate:urea deep eutectic solvents (in this case Ln = Ce), using Empirical Potential Structure Refinement (EPSR) modelling.
Cite this dataset as:
Hammond, O.,
Edler, K.,
2019.
Data supporting "Structure and properties of ‘Type IV’ lanthanide nitrate hydrate:urea deep eutectic solvents".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00588.
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Data
ScatteringData.zip
application/zip (51kB)
Creative Commons: Attribution 4.0
Documentation
Data collection method:
Neutron data were collected using the NIMROD diffraction instrument at TS2 of the STFC ISIS neutron and muon facility. Samples were measured into flat-plate TiZr cells of 1mm pathlength and measured for 2 hours. X-Ray data were collected with a Panalytical X'Pert PRO II instrument, with samples loaded into quartz glass X-Ray capillaries of 2 mm pathlength.
Data processing and preparation activities:
Data were normalised, reduced and processed using standard procedures in GudrunN (neutron) and GudrunX (X-Rays). The provided files are corrected total scattering files, suitable for use in EPSR modelling of scattering data.
Technical details and requirements:
This data can be modelled using EPSR, more details of which can be found here: https://www.isis.stfc.ac.uk/Pages/Empirical-Potential-Structure-Refinement.aspx
Methodology link:
Soper, A.K., 1996. Empirical potential Monte Carlo simulation of fluid structure. Chemical Physics, 202(2-3), 295-306. Available from: https://doi.org/10.1016/0301-0104(95)00357-6.
Funders
Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266
EPSRC Doctoral Training Centre in Sustainable Chemical Technologies
EP/L016354/1
Science and Technology Facilities Council (STFC)
https://doi.org/10.13039/501100000271
Studentship Agreement 3578
Publication details
Publication date: 28 January 2019
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-00588
URL for this record: https://researchdata.bath.ac.uk/id/eprint/588
Related papers and books
Hammond, O. S., Bowron, D. T., and Edler, K. J., 2019. Structure and Properties of “Type IV” Lanthanide Nitrate Hydrate:Urea Deep Eutectic Solvents. ACS Sustainable Chemistry & Engineering, 7(5), 4932-4940. Available from: https://doi.org/10.1021/acssuschemeng.8b05548.
Related datasets and code
Edler, K., Bowron, D., and Hammond, O., 2016. Linking solvent structure to materials synthesis: Choline Chloride:Urea-Water effects on Nanostructured Ceria. STFC ISIS Neutron and Muon Source. Available from: https://doi.org/10.5286/ISIS.E.73944558.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Oliver Hammond
Faculty of Science
Chemistry
Research Centres & Institutes
Centre for Sustainable and Circular Technologies (CSCT)
