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.

Keywords:
Deep Eutectic Solvents, Lanthanides, Neutron scattering, Ionic Liquids

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

ISIS repository for uncorrected raw neutron scattering data

Creators

Oliver Hammond
University of Bath

Karen Edler
University of Bath

Contributors

Daniel Bowron
Project Member
STFC

University of Bath
Rights Holder

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
https://doi.org/10.13039/501100000266

EPSRC Doctoral Training Centre in Sustainable Chemical Technologies
EP/L016354/1

Science and Technology Facilities Council
https://doi.org/10.13039/501100000271

ISIS 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

Departments:

Faculty of Science
Chemistry

Research Centres & Institutes
Centre for Sustainable and Circular Technologies (CSCT)