Dynamics of a room temperature ionic liquid under applied pressure

Naresh C. Osti; Bianca Haberl; Niina Jalarvo; Reinhard Boehler; Jamie J. Molaison; Richard J. Goyette; Eugene Mamontov

doi:10.1016/j.chemphys.2019.110628

Dynamics of a room temperature ionic liquid under applied pressure

Naresh C. Osti, Bianca Haberl, Niina Jalarvo, Reinhard Boehler, Jamie J. Molaison, Richard J. Goyette, Eugene Mamontov

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

Room temperature ionic liquids (RTILs) have shown great potential in a wide range of applications, especially as novel electrolytes for energy generation. Understanding microscopic dynamics under variable environmental conditions provides critical knowledge of the microscopic interactions in RTILs, which are closely linked to their functionality. Here, we investigate a response of a RTIL, EmimTFSI, to application of a high pressure, up to 1.0 GPa, using quasi-elastic neutron scattering, Raman and X-ray scattering. The ionic liquid transitions from a liquid to a solid state at above ~0.5 GPa and returns to its liquid state following full decompression. However, following such pressure application, the resulting liquid no longer possesses either cations, or anions, as individual entities, as evident from quasi-elastic scattering and Raman scattering results, respectively. We suggest that a possible cause for this behavior could be dimerization of ions, which needs to be considered when designing RTILs for moderate high-pressure applications.

Original language	English
Article number	110628
Journal	Chemical Physics
Volume	530
DOIs	https://doi.org/10.1016/j.chemphys.2019.110628
State	Published - Feb 1 2020

Funding

Work at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for U.S. DOE under Contract No. DEAC05-00OR22725. The authors gratefully acknowledge Jesse Smith for assistance during their X-ray diffraction beamtime. The X-ray diffraction was performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA under Award No. DE-NA0001974, with partial instrumentation funding by NSF. The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Work at ORNL’s Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy . Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for U.S. DOE under Contract No. DEAC05-00OR22725. The authors gratefully acknowledge Jesse Smith for assistance during their X-ray diffraction beamtime. The X-ray diffraction was performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA under Award No. DE-NA0001974, with partial instrumentation funding by NSF . The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Appendix A

Funders	Funder number
DOE Office of Science
DOE-NNSA	DE-NA0001974
Jesse Smith
ORNL’s
Office of Basic Energy Sciences
Office of Science User Facility operated
Scientific User Facilities Division
U.S. DOE
UT-Battelle
National Science Foundation
U.S. Department of Energy	DEAC05-00OR22725
National Sleep Foundation
Office of Science	DE-AC02-06CH11357
Basic Energy Sciences
Argonne National Laboratory
Oak Ridge National Laboratory

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10.1016/j.chemphys.2019.110628

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title = "Dynamics of a room temperature ionic liquid under applied pressure",

abstract = "Room temperature ionic liquids (RTILs) have shown great potential in a wide range of applications, especially as novel electrolytes for energy generation. Understanding microscopic dynamics under variable environmental conditions provides critical knowledge of the microscopic interactions in RTILs, which are closely linked to their functionality. Here, we investigate a response of a RTIL, EmimTFSI, to application of a high pressure, up to 1.0 GPa, using quasi-elastic neutron scattering, Raman and X-ray scattering. The ionic liquid transitions from a liquid to a solid state at above ~0.5 GPa and returns to its liquid state following full decompression. However, following such pressure application, the resulting liquid no longer possesses either cations, or anions, as individual entities, as evident from quasi-elastic scattering and Raman scattering results, respectively. We suggest that a possible cause for this behavior could be dimerization of ions, which needs to be considered when designing RTILs for moderate high-pressure applications.",

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AU - Goyette, Richard J.

AU - Mamontov, Eugene

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AB - Room temperature ionic liquids (RTILs) have shown great potential in a wide range of applications, especially as novel electrolytes for energy generation. Understanding microscopic dynamics under variable environmental conditions provides critical knowledge of the microscopic interactions in RTILs, which are closely linked to their functionality. Here, we investigate a response of a RTIL, EmimTFSI, to application of a high pressure, up to 1.0 GPa, using quasi-elastic neutron scattering, Raman and X-ray scattering. The ionic liquid transitions from a liquid to a solid state at above ~0.5 GPa and returns to its liquid state following full decompression. However, following such pressure application, the resulting liquid no longer possesses either cations, or anions, as individual entities, as evident from quasi-elastic scattering and Raman scattering results, respectively. We suggest that a possible cause for this behavior could be dimerization of ions, which needs to be considered when designing RTILs for moderate high-pressure applications.

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Dynamics of a room temperature ionic liquid under applied pressure

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