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• W2799348577 startingPage "5961" @default.
• W2799348577 abstract "Protic ionic liquids (PILs) form through proton transfer from a Brønsted acid to a Brønsted base. In this work we use molecular dynamics simulation to study how PIL properties vary with χ, the extent of the proton transfer reaction. Three PILs are considered: N-propylammonium acetate, [N3][Ac], N-butylammonium acetate, [N4][Ac], and N, N-dimethylbutylammonium acetate, [N114][Ac]. In all cases density and viscosity increase with increasing χ, while diffusivities of all species decrease with increasing χ. In each PIL the ionic conductivity exhibits a maximum at intermediate χ due to competition between increasing ion concentration and decreasing ion mobility. Ionicity analysis suggests that strongly correlated behavior is present at all χ. Finally, we determine the χ for which the properties of each simulated PIL best agree with experimental data; these are χ = 0.86, 0.80, and 0.18 for [N3][Ac], [N4][Ac], and [N114][Ac], respectively. These results suggest that proton transfer is nearly complete in the primary ammonium PILs but not in the tertiary ammonium PIL, consistent with recent experimental observations. We propose that this difference is due to cooperative production of hydrogen bonds with increasing χ in the primary ammonium PILs, which does not occur in the tertiary ammonium PIL." @default.
• W2799348577 created "2018-05-17" @default.
• W2799348577 creator A5021006061 @default.
• W2799348577 creator A5063547030 @default.
• W2799348577 date "2018-05-11" @default.
• W2799348577 modified "2023-10-01" @default.
• W2799348577 title "How Proton Transfer Equilibria Influence Ionic Liquid Properties: Molecular Simulations of Alkylammonium Acetates" @default.
• W2799348577 cites W1585489811 @default.
• W2799348577 cites W1964929076 @default.
• W2799348577 cites W1970419395 @default.
• W2799348577 cites W1976792214 @default.
• W2799348577 cites W1979125578 @default.
• W2799348577 cites W1982479518 @default.
• W2799348577 cites W1983581083 @default.
• W2799348577 cites W1991794210 @default.
• W2799348577 cites W1994055814 @default.
• W2799348577 cites W1995740873 @default.
• W2799348577 cites W1997020638 @default.
• W2799348577 cites W1999492740 @default.
• W2799348577 cites W2001435566 @default.
• W2799348577 cites W2003949305 @default.
• W2799348577 cites W2005307077 @default.
• W2799348577 cites W2017196167 @default.
• W2799348577 cites W2017835622 @default.
• W2799348577 cites W2019465613 @default.
• W2799348577 cites W2022640301 @default.
• W2799348577 cites W2025247704 @default.
• W2799348577 cites W2029667189 @default.
• W2799348577 cites W2039546621 @default.
• W2799348577 cites W2039639599 @default.
• W2799348577 cites W2051381895 @default.
• W2799348577 cites W2052634938 @default.
• W2799348577 cites W2057910943 @default.
• W2799348577 cites W2061067851 @default.
• W2799348577 cites W2062393756 @default.
• W2799348577 cites W2068355834 @default.
• W2799348577 cites W2068564466 @default.
• W2799348577 cites W2070205285 @default.
• W2799348577 cites W2073045312 @default.
• W2799348577 cites W2074401392 @default.
• W2799348577 cites W2076593486 @default.
• W2799348577 cites W2079381436 @default.
• W2799348577 cites W2080116234 @default.
• W2799348577 cites W2081207561 @default.
• W2799348577 cites W2085118821 @default.
• W2799348577 cites W2087995350 @default.
• W2799348577 cites W2089439093 @default.
• W2799348577 cites W2089768711 @default.
• W2799348577 cites W2093233380 @default.
• W2799348577 cites W2094106578 @default.
• W2799348577 cites W2099741198 @default.
• W2799348577 cites W2106140689 @default.
• W2799348577 cites W2111295885 @default.
• W2799348577 cites W2122250145 @default.
• W2799348577 cites W2129233090 @default.
• W2799348577 cites W2133966919 @default.
• W2799348577 cites W2142549958 @default.
• W2799348577 cites W2144580342 @default.
• W2799348577 cites W2146582209 @default.
• W2799348577 cites W2155155530 @default.
• W2799348577 cites W2170953636 @default.
• W2799348577 cites W2237528249 @default.
• W2799348577 cites W2283579960 @default.
• W2799348577 cites W2321598992 @default.
• W2799348577 cites W2324930176 @default.
• W2799348577 cites W2328479868 @default.
• W2799348577 cites W2328705716 @default.
• W2799348577 cites W2333895603 @default.
• W2799348577 cites W2339949378 @default.
• W2799348577 cites W2407137810 @default.
• W2799348577 cites W2486795747 @default.
• W2799348577 cites W2515661450 @default.
• W2799348577 cites W2574266344 @default.
• W2799348577 cites W2584298873 @default.
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• W2799348577 cites W2759725346 @default.
• W2799348577 cites W2771430822 @default.
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• W2799348577 cites W2964344211 @default.
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• W2799348577 doi "https://doi.org/10.1021/acs.jpcb.8b01631" @default.
• W2799348577 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29750530" @default.
• W2799348577 hasPublicationYear "2018" @default.
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