Supplementary Dataset for Thesis: Bridging the Gap in Sustainable Continuous Chemicals Manufacture: Integrating Upstream Synthesis and Downstream Crystallisation - Chapter "Thermochromics"

The dataset includes the videos recorded for hot-stage microscopy measurements of cocrystal systems: 4-bromo-2-methylaniline:3,5-dinitrobenzoic acid (4Br2MA:35DNBA) and 4-iodo-2-methylaniline:3,5-dinitrobenzoic acid (4I2MA:35DNBA) isolated from slow evaporation and antisolvent crystallisation (batch and flow) experiments which is discussed in the Thesis Chapter.

The video demonstrates the co-crystals systems colour changing properties and phase transition behaviour in response to temperature as well as the co-crystal melting points.

TC1.8 and Cc4 concern 4I2MA:35DNBA cocrystals and TC3.1, TC3.4, TC4.1 TC4.2, TC4.3 and TC4.4 correspond to 4Br2MA:35DNBA

Keywords:
Cocrystal, Thermochromic, Multi-component complex, Crystallisation

Cite this dataset as:
Scott, D., Wilson, C., Davidson, M., 2020. Supplementary Dataset for Thesis: Bridging the Gap in Sustainable Continuous Chemicals Manufacture: Integrating Upstream Synthesis and Downstream Crystallisation - Chapter "Thermochromics". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00731.

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Data

TC4.3.avi
video/x-msvideo (446MB)
Creative Commons: Attribution 4.0

Video of 4Br2MA:35DNBA cocrystal heated on a hot-stage microscopy experiment

TC4.2_H2O.avi
video/x-msvideo (251MB)
Creative Commons: Attribution 4.0

Video of 4Br2MA:35DNBA cocrystal heated on a hot-stage microscopy experiment in the presence of water

TC4.4.avi
video/x-msvideo (268MB)
Creative Commons: Attribution 4.0

Video of 4Br2MA:35DNBA cocrystal heated during a hot-stage microscopy

TC3.4.avi
video/x-msvideo (276MB)
Creative Commons: Attribution 4.0

Video of 4Br2MA:35DNBA cocrystal heated during a hot-stage microscopy

Cc4_Slow_Evap.avi
video/x-msvideo (183MB)
Creative Commons: Attribution 4.0

Video of 4I2MA:35DNBA cocrystal heated during a hot-stage microscopy

TC4.2.avi
video/x-msvideo (236MB)
Creative Commons: Attribution 4.0

Video of 4Br2MA:35DNBA cocrystal heated during a hot-stage microscopy

TC1.8_H2O.avi
video/x-msvideo (211MB)
Creative Commons: Attribution 4.0

Video of 4I2MA:35DNBA cocrystal heated during a hot-stage microscopy experiment in the presence of water

TC1.8.avi
video/x-msvideo (177MB)
Creative Commons: Attribution 4.0

Video of 4I2MA:35DNBA cocrystal heated during a hot-stage microscopy experiment

TC4.1.avi
video/x-msvideo (290MB)
Creative Commons: Attribution 4.0

Video of 4Br2MA:35DNBA cocrystal heated during a hot-stage microscopy experiment

TC3.1.avi
video/x-msvideo (264MB)
Creative Commons: Attribution 4.0

Video of 4Br2MA:35DNBA cocrystal heated during a hot-stage microscopy experiment

Creators

Daniel Scott
University of Bath

Chick Wilson
University of Bath

Matthew Davidson
University of Bath

Documentation

Data collection method:

Real-time analysis of phase transitions was conducted using a Mettler Toledo FP82 hot stage equipped with a Leica DM1000 microscope. A small amount of sample was placed onto a glass slide and transferred to the hot stage chamber. The sample was then subjected to a temperature program using the FP90 Central Processor. The microscope was equipped with an Infinity 2 camera to record any changes in real time. The Studio86Designs software was used capture the video. Playback of the videos was carried out using Studio Player. In a typical experiment, a sample is heated at 5 C per min from a start temperature of 35 C until the sample has visibly melted. The video would be logged and played back to observe any visible changes in colour; a loss of crystallinity; solvent precipitation or a melting point over a specific temperature range. In samples subjected to water, 20 uL deionised water was added to the sample on the glass slide before being subjected to hot stage microscopy.

Technical details and requirements:

Playback software capable of reading avi. files - e.g. VLC media player

Additional Metadata

Scott_Daniel … isAppendix_HSM.zip
application/zip (1GB)
Creative Commons: Attribution 4.0

Zip file containing videos depicting colour changing behaviour of crystals in response to temperature. Supplementary materials in the Thesis Appendix to complement the discussion in the relevant chapter.

Funders

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

Bridging the Gap in Sustainable Continuous Chemicals Manufacture: Integrating Upstream Synthesis and Downstream Crystallisation

Publication details

Publication date: 4 November 2020
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-00731

URL for this record: https://researchdata.bath.ac.uk/id/eprint/731

Contact information

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

Contact person: Daniel Scott

Departments:

Faculty of Science
Chemistry

Research Centres & Institutes
Centre for Sustainable Chemical Technologies