The microscopic structure of the acetone - chloroform azeotrope

DOI

The acetone - chloroform system is the classic textbook example of a negative-pressure azeotrope, i.e. the vapour pressures of the binary mixtures are lower than expected for ideal mixtures, the mixing is exothermic and the excess volumes of mixing are negative. These deviations from ideal behaviour are thought to originate from hydrogen-bonding interactions which are present in the mixtures but not in the pure liquids. Previous studies, based on thermodynamic data, IR spectroscopy and Monte-Carlo simulations, have suggested conflicting structures for the azeotropic clusters. The aim of the proposed work is to finally determine the composition, structure and concentration of these clusters. This could prove that interspecies association is indeed causing the negative-azeotrope behaviour. This study might also lead to further optimisation of the computer models of chloroform and acetone.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24089687
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24089687
Provenance
Creator Professor John Evans; Professor Christoph Salzmann; Mr Jacob Shephard
Publisher ISIS Neutron and Muon Source
Publication Year 2017
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 Photon- and Neutron Geosciences
Temporal Coverage Begin 2012-10-08T08:39:47Z
Temporal Coverage End 2014-03-13T13:55:37Z