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.
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"
Creators
Oliver Hammond
University of Bath
Adrian Sanchez Fernandez
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
Faculty of Science
Chemistry
Research Centres & Institutes
Centre for Sustainable and Circular Technologies (CSCT)