ArticleThe journal of physical chemistry. B2025
Predicting Ionic Conductivity of Imidazolium-Based Ionic Liquid Mixtures Using Quantum-Mechanically Derived Partial Charges in the Condensed Phase.
Article in The journal of physical chemistry. B, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Ionic Liquid Mixtures in Task-Specific Applications: Linking Composition, Physicochemical Properties, and Performance.Molecules (Basel, Switzerland) · 2026Review
- MDTransport: A Modular, Open-Source, Extensible Python Tool for Computing Transport Properties from GROMACS and LAMMPS Simulations.Journal of chemical information and modeling · 2026Article
- Ionic Liquid-Enhanced Interfaces to Boost Reactive COThe journal of physical chemistry. B · 2026Article
- Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions.Chemical reviews · 2025Review
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A considerable effort has been expended over the years to tune the properties of ionic liquids (ILs) by designing cations, anions, and pendant groups on the ions. A simple and effective approach to altering the properties of ILs is formulating IL-IL mixtures. However, the measurements and properties of such mixtures lag considerably behind those of pure ILs. From a molecular simulation point of view, binary IL mixtures have been investigated using charge distributions of pure ILs, which implicitly assumes that the ions of different polarizability do not influence the local electronic environment due to changing concentrations. To understand this effect, molecular dynamics (MD) simulations were conducted for a series of IL-IL mixtures containing the common cation 1-ethyl-3-methylimidazolium [C
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Registered trials
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