Molecular dynamics simulations of choline chloride and phenyl propionic acid deep eutectic solvents: Investigation of structural and dynamics properties
Parisa Jahanbakhsh Bonab, Mehdi D. Esrafili, Alireza Rastkar Ebrahimzadeh, Jaber Jahanbin Sardroodi
Topics & Concepts
Eutectic systemCholine chlorideMolecular dynamicsvan der Waals forceViscosityThermodynamicsMean squared displacementChemistryHydrogen bondRadial distribution functionDipoleDiffusionPhysical chemistryMoleculeMaterials scienceComputational chemistryCrystallographyOrganic chemistryMicrostructurePhysicsIonic liquids properties and applicationsThermodynamic properties of mixturesChemical and Physical Properties in Aqueous Solutions