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Your search keyword '"Zhu, Ruisong"' showing total 12 results
Start Over Author "Zhu, Ruisong" Publisher elsevier bv
12 results on '"Zhu, Ruisong"'

12. Measurement and prediction of vapor pressure in binary systems containing the ionic liquid [EMIM][DCA]

Author

Zhigang Lei, Zhu Ruisong, Zhenhang Wang, Shuai Huang, and Shengli Liu

Subjects
Vapor pressure, Hydrogen bond, Intermolecular force, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, chemistry, Ionic liquid, Materials Chemistry, Physical chemistry, Density functional theory, Methanol, Physical and Theoretical Chemistry, 0210 nano-technology, Dicyanamide, Spectroscopy, UNIFAC
Abstract

The vapor-liquid equilibrium (VLE) data for water/methanol/ethanol +1-ethyl-3-methylimidazolium dicyanamide ([EMIM][DCA]) binary mixtures were measured by a saturated vapor pressure device at different temperatures. The experimental results showed that the existence of ionic liquid (IL) has a significant effect on the VLE data for all the investigated systems. The thermodynamic model (i.e., modified UNIFAC model) for quantitative prediction has been extended to estimate the VLE data for water/methanol/ethanol + [EMIM][DCA] systems, and the relative mean deviations (RMDs) are 6.02%, 3.45% and 3.05%, respectively. Besides, the binding energy, excess enthalpies and σ-profiles were derived by the COSMO-RS model and density functional theory (DFT) calculation to further understand the nature of the interactions between ordinary matter and IL at the molecular scale. It was clear that the intermolecular interaction between [EMIM][DCA] and methanol/ethanol is weaker than that between [EMIM][DCA] and water; Moreover, the hydrogen bonding interaction is the dominant intermolecular force between [EMIM][DCA] and water/methanol/ethanol.

Published
2020
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