Dataset for "Comparison of Cyclic and Linear Poly(lactide)s Using Small Angle Neutron Scattering"

These data were collected on different polymer samples using neutron scattering techniques at Institut Laue Langevin (ILL), with the aim of characterising the physical behaviour of the samples in solution. Variables include two temperatures (15, 40 °C), two solvents (deuterated acetone and deuterated THF) and various polymers of different molecular weights and structures. The data can be used in its current form to give intensity vs. q plots, or fitted using various models to give other values.

Neutron scattering data of various cyclic and linear poly(lactide) samples (PLA). Samples were measured in solution at 1 wt% in deuterated acetone and THF over a q range of up to 0.003 to 0.53 Angstroms^-1. Data measured at Institut Laue Langevin (ILL), Grenoble, France Molecular weights range from 18,330 to 74,441 g mol^-1, with cyclic and linear samples generally having comparable molecular weights (i.e. weights of samples C1 and L1 are similar). This data allows for in depth comparison of novel cyclic and linear polymers at different temperatures, solvents, molecular weights and microstructures of PLA (given the chiral centre of lactide we were able to compare heterotactic, atactic PLA and isotactic PLLA).

Specifically, this dataset contains intensity and q data which can be plotted in its current form or fitted to various models to give data about polymer-solvent interactions and scaling exponents among other information.

Keywords:
Polymers, PLA, Cyclic Polymer, Poly(lactic acid), Small angle neutron scattering, SANS, Polymer-solvent interactions, polymer behaviour in solution
Subjects:
Chemical reaction dynamics and mechanisms
Chemical synthesis

Cite this dataset as:
Yang, P., Edler, K., Davidson, M., Brown, S., McCormick, S., Bathke, E., Leaman, N., Matsarskaia, O., 2022. Dataset for "Comparison of Cyclic and Linear Poly(lactide)s Using Small Angle Neutron Scattering". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01203.

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Data

Cycle C1 Acetone 15C.csv
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Raw Small Angle Neutron Scattering (SANS) data from various cyclic and linear poly(lactic acid) samples. Cyclic polymers labelled C1-4, Linears labelled L1-3. samples with the same number are generally comparable in terms of polymer type and molecular weight (i.e. C1 intended to be compared to L1). Data includes intensities recorded at different q values

Cycle C1 Acetone 40C.csv
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Cycle C1 THF 15C.csv
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Cycle C1 THF 40C.csv
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Cycle C2 Acetone 15C.csv
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Cycle C3 THF 15C.csv
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Cycle C4 Acetone 15C.csv
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Cycle C4 THF 15C.csv
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Linear L1 Acetone 15C.csv
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Linear L1 Acetone 40C.csv
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Linear L1 THF 15C.csv
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Linear L1 THF 40C.csv
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Linear L2 Acetone 15C.csv
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Linear L2 THF 15C.csv
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Linear L3 THF 15C.csv
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Creators

Philip Yang
Researcher
University of Bath

Karen Edler
Supervisor
University of Bath

Matthew Davidson
Supervisor
University of Bath

Steven Brown
Supervisor
Scott Bader Ltd.

Strachan McCormick
Researcher
University of Bath

Elly Bathke
Contributor
University of Bath

Niamh Leaman
Contributor
University of Bath

Olga Matsarskaia
Data Collector
Institut Laue-Langevin

Contributors

University of Bath
Rights Holder

Scott Bader Ltd.
Sponsor

Institut Laue-Langevin
Data Collector

Documentation

Data collection method:

SANS measurements were performed on the D11 SANS instrument at the Institut Laue Langevin (ILL), Grenoble, France with a variable temperature sample block for measurements at 15 and 40 °C. All samples were dissolved in acetone-d6 or THF-d8 at 1 wt% and scattered neutron intensities were collected. Acetone is the θ solvent for PLA and THF is considered to be a “good” solvent for PLA, commonly used for routine analysis in GPC, MALDI-TOF etc. The sample-to-detector distance was varied between 1.7 and 8 m for all samples to cover a range of q from 0.018 to 0.52 Å⁻¹. For some samples, an additional sample-to-detector distance was employed to give low q measurements down to 0.003 Å⁻¹. The scattering variable q is expressed in terms of the neutron wavelength and scattering angle as q = (4π/λ)sin(θ/2) where the neutron wave-length was λ = 6 Å⁻¹. Absolute scattering intensities are given corrected for scattering from the empty sample cell, for detector efficiency and the presence of background intensity using standard methods.

Technical details and requirements:

Software used to collect data is unique to ILL facility which uses a neutron source (Uranium). Similar facilities exist across the world (ISIS in UK for instance). Viewing the data requires only Excel and modelling can be done using SASview 5.04 (free software) as described in the associated publication (we used custom RPA models).

Additional information:

Each attached datafile refers to a sample run with specific temperatures, solvents and the polymer sample used listed in the title of the sheet. These relate to polymer samples in the supporting information of the associated publication.

Methodology link:

Yang, P. B., Davidson, M. G., Edler, K. J., Leaman, N., Bathke, E. K., McCormick, S. N., Matsarskaia, O., and Brown, S., 2022. Comparison of Cyclic and Linear Poly(lactide)s Using Small-Angle Neutron Scattering. Macromolecules. Available from: https://doi.org/10.1021/acs.macromol.2c02020.

Documentation Files

Characterisation … samples.docx
application/vnd.openxmlformats-officedocument.wordprocessingml.document (15kB)

Molecular weights and basic characterisation of samples used in this dataset

Funders

Scott Bader Ltd.

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

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

Publication details

Publication date: 13 December 2022
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-01203

URL for this record: https://researchdata.bath.ac.uk/id/eprint/1203

Related papers and books

Yang, P. B., Davidson, M. G., Edler, K. J., Leaman, N., Bathke, E. K., McCormick, S. N., Matsarskaia, O., and Brown, S., 2022. Comparison of Cyclic and Linear Poly(lactide)s Using Small-Angle Neutron Scattering. Macromolecules. Available from: https://doi.org/10.1021/acs.macromol.2c02020.

Contact information

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

Contact person: Philip Yang

Departments:

Faculty of Science
Chemistry

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