Description
Data collected on the SANDALS instrument at the ISIS facility, RB1920307.
Results from previous beamtime (RB1620078) demonstrated that proposed differences in olefin/alkane solvation in the ionic liquid (from MD simulation) can be observed experimentally from EPSR analysis of the neutron scattering data, however the resolution of the analysis was severely limited by the restricted number of independent data sets collected and the H/D-isotopic substitutions used. The aim of this continuation is to obtain further data comparing the solvation environments of propane and propene in [C4mim][NTf2] using (i) equivalent mole fractions of dissolved hydrocarbon rather than constant gas pressure, (ii) use deuteriated propane and propene to increase the number of available isotopic contrasts, and (iii) use selective H/D-substitution between the IL imidazolium ring and butyl-chain to enhance the resolution of analysis.
olvation structure of propane/propene in [C4mim][NTf2] ionic liquid - II
Abstract: There are great energy costs associated with the separation of the light olefins (ethylene and propylene) from mixed hydrocarbon gas feeds. These olefins (obtained from natural gas, biosources, or produced from recycling of waste hydrocarbons) are chemical starting materials for high-demand materials such as PET, PPE, PVC, lubricants and medications. Ionic liquids have been suggested as low energy intensive absorbent materials that could selectively capture and release these gases from mixtures without the need to use the expensive and energy intensive cryogenic distillation. This study aims to provide important contributions towards the understanding of hydrocarbon gas absorption and separations in ionic liquids at a molecular level. In turn this will allow desidesign of absorbents with improved performance leading to the evaluation of their use in an industrial setting.
Principal Investigator: Dr Leila Moura
Experimenter: Mr David Greene
Local Contact: Dr Sabrina Gaertner
Experimenter: Professor John Holbrey
DOI: 10.5286/ISIS.E.RB1920307
ISIS Experiment Number: RB1920307
Publisher: STFC ISIS Neutron and Muon Source
Results from previous beamtime (RB1620078) demonstrated that proposed differences in olefin/alkane solvation in the ionic liquid (from MD simulation) can be observed experimentally from EPSR analysis of the neutron scattering data, however the resolution of the analysis was severely limited by the restricted number of independent data sets collected and the H/D-isotopic substitutions used. The aim of this continuation is to obtain further data comparing the solvation environments of propane and propene in [C4mim][NTf2] using (i) equivalent mole fractions of dissolved hydrocarbon rather than constant gas pressure, (ii) use deuteriated propane and propene to increase the number of available isotopic contrasts, and (iii) use selective H/D-substitution between the IL imidazolium ring and butyl-chain to enhance the resolution of analysis.
olvation structure of propane/propene in [C4mim][NTf2] ionic liquid - II
Abstract: There are great energy costs associated with the separation of the light olefins (ethylene and propylene) from mixed hydrocarbon gas feeds. These olefins (obtained from natural gas, biosources, or produced from recycling of waste hydrocarbons) are chemical starting materials for high-demand materials such as PET, PPE, PVC, lubricants and medications. Ionic liquids have been suggested as low energy intensive absorbent materials that could selectively capture and release these gases from mixtures without the need to use the expensive and energy intensive cryogenic distillation. This study aims to provide important contributions towards the understanding of hydrocarbon gas absorption and separations in ionic liquids at a molecular level. In turn this will allow desidesign of absorbents with improved performance leading to the evaluation of their use in an industrial setting.
Principal Investigator: Dr Leila Moura
Experimenter: Mr David Greene
Local Contact: Dr Sabrina Gaertner
Experimenter: Professor John Holbrey
DOI: 10.5286/ISIS.E.RB1920307
ISIS Experiment Number: RB1920307
Publisher: STFC ISIS Neutron and Muon Source
| Date made available | 14 Dec 2022 |
|---|---|
| Publisher | STFC ISIS |
| Date of data production | 02 Dec 2019 - 14 Dec 2019 |
Datasets
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Solvation structure of propane/propene in [C4mim][NTf2] ionic liquid
Holbrey, J. (Creator), Padua, A. A. H. (Creator), Moura, L. (Creator), Callear, S. (Creator), Gomes, M. F. C. (Creator) & Gilmore, M. (Creator), STFC ISIS, 29 Feb 2020
Dataset