The structuring in mixtures with acetone as the common solvent

A molecular dynamics study of binary mixtures with acetone and different non-polar solutes (benzene, pentane and carbon tetrachloride) was undertaken. Through the analysis of different structural features, Kirkwood-Buff integrals, as well as energy distributions the weak nonideality is observed, gov...

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Bibliographic Details
Published inPhysics and chemistry of liquids Vol. 58; no. 2; pp. 184 - 201
Main Authors Požar, Martina, Zoranić, Larisa
Format Journal Article
LanguageEnglish
Published Abingdon Taylor & Francis 03.03.2020
Taylor & Francis Ltd
Subjects
Acetone
Benzene
Binary mixtures
Carbon tetrachloride
Methanol
Molecular dynamics
non-polar solute
Thermodynamic properties
weak nonideality
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Summary:A molecular dynamics study of binary mixtures with acetone and different non-polar solutes (benzene, pentane and carbon tetrachloride) was undertaken. Through the analysis of different structural features, Kirkwood-Buff integrals, as well as energy distributions the weak nonideality is observed, governed mainly by the acetone's interactions. The excess thermodynamic properties highlighted that the subtle balance between unfavourable energetic and favourable entropic contributions promotes mixing. The solutes, despite showing differences, exhibit globally similar behaviour. The characteristics of these mixtures contrast those of the acetone-methanol mixtures, which exhibit more complex structuring, dictated primarily by the methanol molecules.
ISSN:0031-9104
1029-0451
DOI:10.1080/00319104.2018.1564305