engleski

Wetting and Contact Angle of the [C2Mim][NTf2] Ionic Liquid at the Neutral Sapphire Interface

Room Temperature Ionic Liquids (RTILs) have found a vast range of applicability in research and development.1 For applications in heterogeneous and transport systems, as well as porous environments, knowledge of the wettability of RTILs is required.2 Using extensive molecular dynamics (MD) simulations, we have investigated the surface-wetting properties of a model RTIL [C2Mim][NTf2] by employing cylindrically shaped nanodroplets with 2 different radii3(with the longitudinal axis oriented along the x direction). Analysis of our MD simulations allows, for example, the evaluation of the contact angle between the RTIL and the sapphire surface. Additional important properties that are accessible in this way include spreading velocity, film thickness, precursor film and surface tension, all of which are analyzed and described in appreciable detail.

ionic liquid ; nanoconfinement ; molecular dynamics simulations ; radial distributions ; interface-normal number density

Excellence Cluster “Engineering of Advanced Materials” at the FAU, DAAD project Multiscale Modelling of Supported Ionic Liquid Phase Catalysis (2017–2018)