The updated ReaxFF potential is used for modeling organic matter degradations typically depicting the oxidative fragmentations of aliphatic and aromatic hydrocarbons. This modeling is applied within reactive fluids containing sodium bromite (NaBr...
Artikel
Pyrrolidium‐ and Imidazolium‐Based Ionic Liquids and Electrolytes with Flexible Oligoether Anions
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Here we present fluorine-free pyrrolidinium- and imidazolium-based ionic liquids and electrolytes with flexible oligoether anions. The electrolytes offer promising physicochemical and transport properties that can potentially be used in lithium batteries, especially at elevated temperatures.
Abstract
A new class of fluorine-free ionic liquids (ILs) and electrolytes based on aliphatic flexible oligoether anions, 2-(2-methoxyethoxy)acetate (MEA) and 2-[2-(2-methoxyethoxy)ethoxy]acetate (MEEA), coupled with pyrrolidinium and imidazolium cations is introduced. For the ILs with MEEA anions, Li+ conducting electrolytes are created by doping the ILs with 30 mol % of LiMEEA. The structural flexibility of the oligoether functionality in the anion results in glass transition temperatures (Tg ) as low as −60 °C for the neat ILs and the electrolytes. The imidazolium-based ILs and electrolytes reveal better thermal stabilities but higher Tg and lower electrochemical stabilities than the corresponding pyrrolidinium-based analogues. All neat ILs show comparable transport properties for the cations and these decrease by the addition of lithium salt – the pyrrolidinium-based electrolyte being affected the most.
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