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Prediction of Ionic Liquids Properties through Molecular Dynamics Simulations

Ionic liquids (ILs) are a new generation of molten salts possessing unique physical and chemical properties, which have gained attention from the academic and industries researchers. The design of new products and processes requires the knowledge of transport and thermophysical properties, yet, due to the large number of potential ILs, their characterization by experimental means alone is not feasible. Computer...