Browsing by Author "Atilhan, M."
Now showing items 21-30 of 30
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Review on the Use of Ionic Liquids (ILs) as Alternative Fluids for CO2 Capture and Natural Gas Sweetening
Karadas, F.; Atilhan, M.; Aparicio, S. ( American Chemical Society , 2010 , Article)The capture of CO2 from flue gases derived from fossil-fueled power plants and the absorption of CO2/H2S for natural gas sweetening purposes are two relevant industrial problems closely related to very important environmental, ... -
Structure of alkylcarbonate + n-alkane mixed fluids
Garcia, G.; Trenzado, J.L.; Alcalde, R.; Rodriguez-Delgado, A.; Atilhan, M.; Aparicio, S.... more authors ... less authors ( American Chemical Society , 2014 , Article)The properties of dialkylcarbonate + n-alkane mixed fluids were studied both from macroscopic and from microscopic viewpoints using thermophysical measurements combined with classic molecular dynamics simulations and DFT ... -
Study on hydroxylammonium-based ionic liquids. I. Characterization
Aparicio, S.; Atilhan, M.; Khraisheh, Majeda; Alcalde, R. ( American Chemical Society , 2011 , Article)Two selected ammonium-based ionic liquids, 2-hydroxyethyltrimethylammonium l-(+)-lactate and tris(2-hydroxyethyl)methylammonium methylsulfate, were fully characterized. The most relevant thermophysical properties of pure ... -
Study on hydroxylammonium-based ionic liquids. II. Computational analysis of CO2 absorption
Aparicio, S.; Atilhan, M.; Khraisheh, Majeda; Alcalde, R.; Fernandez, J. ( American Chemical Society , 2011 , Article)In the previous work of this series, we reported a wide experimental and computational analysis of the properties of hydroxylammonium-based ionic liquids. This family of ionic liquids shows very favorable economical, ... -
Systematic Study on the Viscosity of Ionic Liquids: Measurement and Prediction
Alcalde, R.; Garcia, G.; Atilhan, M.; Aparicio, S. ( American Chemical Society , 2015 , Article)Dynamic viscosity for twenty-seven ionic liquids involving ions with molecular structures selected to infer the effects of molecular structure on fluids' viscosity is reported in this work as a function of temperature. The ... -
The impact of charges in force field parameterization for molecular dynamics simulations of deep eutectic solvents
Garcia, G.; Atilhan, M.; Aparicio, S. ( Elsevier , 2015 , Article)The nanoscopic characteristics and macroscopic physicochemical properties of choline chloride:levulinic acid (1:2 mole ratio) deep eutectic solvent are analyzed from molecular dynamics simulations. Considering the ionic ... -
Theoretical study on the solvation of C60 fullerene by ionic liquids
Garcia, G.; Atilhan, M.; Aparicio, S. ( American Chemical Society , 2014 , Article)The solvation of C60 fullerene by 24 different ionic liquids belonging to the imidazolium, piperazinium, and cholinium families was analyzed from a nanoscopic viewpoint using classic molecular dynamics simulations and ... -
Use of water in aiding olefin/paraffin (liquid + liquid) extraction via complexation with a silver bis(trifluoromethylsulfonyl)imide salt
Wang, Y.; Thompson, J.; Zhou, J.; Goodrich, P.; Atilhan, M.; Pensado, A.S.; Kirchner, B.; Rooney, D.; Jacquemin, J.; Khraisheh, Majeda... more authors ... less authors ( Academic Press , 2014 , Article)This paper describes the extraction of C5-C8 linear -olefins from olefin/paraffin mixtures of the same carbon number via a reversible complexation with a silver salt (silver bis(trifluoromethylsulfonyl) imide, Ag[Tf2N]) ... -
Viscous behavior of imidazolium-based ionic liquids
Atilhan, M.; Jacquemin, J.; Rooney, D.; Khraisheh, Majeda; Aparicio, S. (2013 , Article)The viscosity of four imidazolium-based ionic liquids is analyzed as a function of pressure and temperature. Experimental measurements were carried out using an electromagnetic moving piston viscometer in the 303-353 K and ... -
Viscous origin of ionic liquids at the molecular level: A quantum chemical insight
Garcia, G.; Atilhan, M.; Aparicio, S. ( Elsevier , 2014 , Article)The viscosity of selected families of ionic liquids has been assessed at the molecular level as a function of the intermolecular interactions using Density Functional Theory together with Atoms-in-a-Molecule and Natural ...