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RISPhysisorption of Hydrophobic and Hydrophilic 1-alkyl-3-methylimidazolium Ionic Liquids on the Graphite Plate Surface
سال: 2011
خلاصه:
Microscopic adsorption structures of imidazolium-based ionic liquids, [C1mim]PF6, [C4mim]PF6, [C1mim]Cl, and [C4mim]Cl, on the surfaces of graphene plates, coronene and circumcoronene, were studied in detail by quantum ...
Bulk and Surface Properties of Formate Esters by the Application of SAFT-VR and Molecular Dynamics Simulation
سال: 2010
خلاصه:
Using SAFT-VR EOS the properties of coexisting liquid/vapor of long chain formates have been predicted. The accuracy of this method depends highly on the elaborated molecular parameters. The same rectilinear diameter is ...