Data supporting "Mix-and-match diols: Adjusting self-assembly of micellar phases in choline chloride eutectics"

The dataset contains SAXS and SANS data for the systems described in "Mix-and-match diols: Adjusting self-assembly of micellar phases in choline chloride eutectics" which has been corrected for instrumental parameters using standard procedures and had appropriate backgrounds subtracted. The datasets are shown as graphs in the paper, and were used in the fitting procedures described.

Keywords:
small angle scattering, x-ray, neutron, deep eutectic solvents, amphiphiles, micelles
Subjects:
Chemical measurement
Materials sciences
Tools, technologies and methods

Cite this dataset as:
Hammond, O., Sanchez Fernandez, A., Dalgliesh, R., Smith, A., Edler, K., 2022. Data supporting "Mix-and-match diols: Adjusting self-assembly of micellar phases in choline chloride eutectics". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01222.

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SAXS and SANS data supporting "Mix-and-match diols: Adjusting self-assembly of micellar phases in choline chloride eutectics"

raw SANS data from experiment RB1620126

Creators

Oliver Hammond
University of Bath

Robert M. Dalgliesh
ISIS Neutron and Muon Source

Andrew J Smith
Diamond Light Source

Karen Edler
University of Bath

Contributors

University of Bath
Rights Holder

Documentation

Data collection method:

Small-angle neutron scattering (SANS) measurements were performed at STFC ISIS Neutron & Muon Source, under beamtime allocation RB1620126, on the time-of-flight diffractometer Larmor operating in conventional SANS mode, at 50°C in 1mm thick quartz Hellma cells. Data were collected over a range of 0.004 Å-1 ≤ Q ≤ 0.9 Å-1, using neutrons of wavelength 1.5 nm ≤ lambda ≤ 17 nm and a detector distance of 4 m. Samples for SANS were prepared on-site, in a concentration series above the measured CMC of C12TAB in ethaline, 2, 5, 10, and 20 wt.% of C12TAB, in two contrast sets, fully-protiated C12TAB in [d9-ChCl][d6-EG]2, and d34-C12TAB in fully-protiated ChCl:EG. Data were reduced using the standard protocols of the beamline to procure the scattered intensity in absolute scale, I(Q), vs. the momentum transfer vector, Q. Synchrotron small-angle X-ray scattering measurements were made on the instrument I22 at Diamond Light Source under beamtime allocation SM15194. Samples were placed into soda-glass capillaries with 10 µm wall thickness and path length of 1.5 mm. Operating at a power of 18 keV, SAXS measurements were taken using a Dectris Pilatus-2M detector over a Q-range of 0.007 Å-1 ≤ Q ≤ 0.6 Å-1. Samples were held at a temperature of 50°C to prevent crystallisation, using a water-recirculating brass block sample holder. Data were reduced using DAWN software and the standard protocols of the beamline to procure the scattered intensity in arbitrary scale, I(Q), vs. the momentum transfer vector, Q. Backgrounds, of which the most pertinent source was the Kapton beam window, were subtracted from the measured scattering to obtain reduced data

Technical details and requirements:

SANS data were reduced from the raw data using Mantid software using the standard beamline procedures on the Larmor instrument. SAXS data were reduced using DAWN software (Basham, M.; Filik, J.; Wharmby, M.T.; Chang, P.C.Y.; El Kassaby, B.; Gerring, M.; Aishima, J.; Levik, K.; Pulford, B.C.A.; Sikharulidze, I.; et al. Data Analysis WorkbeNch (DAWN). J. Synchrotron Radiat. 2015, 22, 853–858, doi:10.1107/S1600577515002283.) using the standard I22 beamline procedures.

Additional information:

SANS data is given in text files (.txt) in three columns which are Q, intensity, uncertainty in intensity. SAXS data is given in text files (.txt) in 6 columns which are Q, intensity, uncertainty in intensity, uncertainty in Q (set to 0 here), and two columns for slit smearing parameters which were not used in this work (thus the 5th column replicates values in column 1 and the last column is set to 1)

Funders

Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266

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

Publication details

Publication date: 10 November 2022
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-01222

URL for this record: https://researchdata.bath.ac.uk/id/eprint/1222

Related papers and books

Basham, M., Filik, J., Wharmby, M. T., Chang, P. C. Y., El Kassaby, B., Gerring, M., Aishima, J., Levik, K., Pulford, B. C. A., Sikharulidze, I., Sneddon, D., Webber, M., Dhesi, S. S., Maccherozzi, F., Svensson, O., Brockhauser, S., Náray, G., and Ashton, A. W., 2015. Data Analysis WorkbeNch(DAWN). Journal of Synchrotron Radiation, 22(3), 853-858. Available from: https://doi.org/10.1107/s1600577515002283.

Hammond, O. S., Sanchez-Fernandez, A., Tyte, R., Dalgliesh, R., Smith, A. J., and Edler, K. J., 2022. Mix-and-Match Diols: Adjusting Self-Assembly of Micellar Phases in Choline Chloride Eutectics. Crystals, 12(11), 1621. Available from: https://doi.org/10.3390/cryst12111621.

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Karen Edler

Departments:

Faculty of Science
Chemistry

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