Atomic-Level Topological Indices for Prediction of the Infinite Dilution Activity Coefficients of Oxo Compounds in Water
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DOI: 10.1007/s10953-020-00954-8
Abstract: The atomic-level AI topological indices and the modified Xu ( m Xu ) index were utilized for quantitative structure–property relationship (QSPR) modeling of the infinite dilution activity coefficients of 108 oxo compounds in water at… read more here.
Keywords: infinite dilution; activity coefficients; water; oxo compounds ... See more keywords
Concentration-dependent activity coefficients of lanthanides in liquid bismuth for the FHR primary coolant cleanup
Sign Up to like & getrecommendations! Published in 2018 at "Annals of Nuclear Energy"
DOI: 10.1016/j.anucene.2017.11.017
Abstract: Abstract The activity coefficients of lanthanides in liquid bismuth at different concentrations and temperatures were calculated based on the assessed expression of Gibbs energy by the method of CALPHAD (CALculation of PHAse Diagrams). The temperature-… read more here.
Keywords: activity coefficients; liquid bismuth; lanthanides liquid; concentration ... See more keywords
Activity coefficients of lanthanum in gallium and gallium-aluminum based alloys
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.03.199
Abstract: Abstract Activity of β-lanthanum were determined in gallium and gallium-aluminum alloy (12 mol. % Al) at 573–1081 K and 573–999 K, respectively, using the electromotive force measurements method. Partial molar thermodynamic functions of lanthanum in the said alloys… read more here.
Keywords: activity coefficients; activity; gallium aluminum; gallium gallium ... See more keywords
Simultaneous Description of Activity Coefficients and Solubility with eCPA
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DOI: 10.1021/acs.iecr.6b03333
Abstract: In the many developments of electrolyte equations of state presented over the past decades, several different properties have been in focus. A property that has not been widely used as a fitting property is salt… read more here.
Keywords: activity coefficients; description activity; simultaneous description; solubility ... See more keywords
Activity Coefficients of Water at Infinite Dilution in Common Oxygenated Solvents
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DOI: 10.1021/acs.jced.0c00108
Abstract: Activity coefficients of water at infinite dilution in 12 common oxygenated solvents (namely methanol, ethanol, propan-1-ol, propan-2-ol, 2-methylpropan-2-ol, propan-2-one, tetrahydrofuran, 1,3-dio... read more here.
Keywords: infinite dilution; activity coefficients; common oxygenated; dilution common ... See more keywords
Thermodynamic Study of LiClO4 Activity Coefficients in Aqueous Solution at (288.15, 298.15, and 308.18) K
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.8b00138
Abstract: The use of various electrolyte materials in a lithium ion battery must be studied under stable electrochemical conditions; therefore, the LiClO4 activity coefficients in water at the temperatures described in this work are the result… read more here.
Keywords: activity coefficients; activity; thermodynamic study; liclo4 activity ... See more keywords
Mean Activity Coefficients of NaCl in the NaCl + SrCl2 + H2O Ternary System at 278.15 K by the Cell Potential Method
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.9b00509
Abstract: In this article, research on the thermodynamic mean activity coefficients for the ternary system (NaCl–SrCl2–H2O) has been carried out. A cell without a liquid junction can be expressed as sodium–I... read more here.
Keywords: srcl2 h2o; activity coefficients; mean activity; nacl srcl2 ... See more keywords
Mean Activity Coefficients of Humic Acids as Physicochemical Characteristics of Their Behavior in Water Environment
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DOI: 10.1021/acsomega.0c03311
Abstract: In this work, the dissociation of humic acids is investigated from the point of view of their mean activity coefficients. They are determined on the basis of two different concepts: sparingly soluble substance and multistep… read more here.
Keywords: coefficients humic; activity coefficients; humic acids; mean activity ... See more keywords
Effect of Dielectric Saturation on Ion Activity Coefficients in Ion Exchange Membranes
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DOI: 10.1021/acsomega.2c02258
Abstract: Polymeric ion exchange membranes are used in water purification processes to separate ions from water. The distribution and transport of ionic species through these membranes depend on a variety of factors, including membrane charge density,… read more here.
Keywords: ion activity; ion exchange; activity coefficients; exchange membranes ... See more keywords
Partial Vapor Pressures, Activity Coefficients, Henry Volatility, and Infinite Dilution Activity Coefficients of Nicotine from Binary Mixtures with Glycerol and with 1,2-Propanediol at 298.15 K
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DOI: 10.1021/acsomega.2c07421
Abstract: The equilibrium headspace concentration of nicotine in nitrogen gas was measured by gas chromatography for binary mixtures of nicotine with glycerol and with 1,2-propanediol at temperatures near 298.15 K. The storage temperature ranged from 296.25… read more here.
Keywords: activity; binary mixtures; glycerol mixtures; activity coefficients ... See more keywords
Activity coefficients of individual ions in LaCl3 from the II+IW theory*
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DOI: 10.1080/00268976.2016.1276640
Abstract: ABSTRACT We investigate the individual activity coefficients of ions in LaCl3 using our theory that is based on the competition of ion–ion (II) and ion–water (IW) interactions. The II term is computed from Grand Canonical… read more here.
Keywords: lacl3 theory; activity coefficients; ions lacl3; coefficients individual ... See more keywords