Why Do Liquids Mix? The Mixing of Protic Ionic Liquids Sharing the Same Cation Is Apparently Driven by Enthalpy, Not Entropy.
Journal
The journal of physical chemistry letters
ISSN: 1948-7185
Titre abrégé: J Phys Chem Lett
Pays: United States
ID NLM: 101526034
Informations de publication
Date de publication:
28 Apr 2022
28 Apr 2022
Historique:
pubmed:
15
4
2022
medline:
15
4
2022
entrez:
14
4
2022
Statut:
ppublish
Résumé
We study hydrogen bond (HB) redistribution in mixtures of two protic ionic liquids (PILs) sharing the same cation: triethylammonium methanesulfonate ([TEA][OMs]) and triethylammonium trifluoromethanesulfonate ([TEA][OTf]). The mixtures exhibit large negative energies of mixing. Based on results obtained from atomic detail molecular dynamics (MD) simulations, we derive a lattice model, discriminating between HB and
Identifiants
pubmed: 35420814
doi: 10.1021/acs.jpclett.2c00634
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM