Room-temperature ionic liquids (RTILs) are salts, liquid at room temperature because of their low melting points. Their peculiar properties in confined geometries have become essential in many fields including energy storage, catalysis and tribology. Recently, an anomalous liquid-solid phase transition of the RTIL 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]) was reported from atomic force microscopy experiments in different confining materials, the transition being more pronounced for more metallic surfaces. Using classical atomistic molecular dynamics simulations, we provide a detailed description of the structural, thermodynamical and dynamical properties of the confined ([BMIM][BF4]), quantifying the impact of the image charges. We find that image charges have, however, a limited influence and cannot possibly be responsible for the anomalous freezing. Further ideas on the microscopic origin of the anomalous transition will be discussed.<br/>

Ionic liquid confined between metallic surfaces: What is the role of image charges?

2019 Fall National Meeting

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