Microscopic structure as an evidence for a new thermodynamic boundary in supercritical CO2: A comparison between experiments and theory

DOI

Supercritical (sc) fluids have unique properties that have led to a rich variety of applications including production of essential oils and pharmaceutical products, green chemistry, formation of nano- and micro-particles, and waste treatment. The proposed work will examine the microscopic structure and molecular motion in supercritical (sc) CO2. The results from this work will provide the first experimental evidence for a structural crossover in a new dynamic line in the supercritical region of the phase diagram, the Frenkel line [1-2]. This work will be enhanced by the use of classical molecular dynamics to provide information on the rotational motion of scCO2.

Identifier
DOI https://doi.org/10.5286/ISIS.E.90604957
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/90604957
Provenance
Creator Dr Sarantos Marinakis; Dr Tom Headen; Professor Alan Soper
Publisher ISIS Neutron and Muon Source
Publication Year 2021
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2018-02-19T09:00:00Z
Temporal Coverage End 2018-02-26T07:16:12Z