Modeling the activity coefficient at infinite dilution of water in ionic liquids using artificial neural networks and support vector machines
Sign Up to like & getrecommendations! Published in 2019 at "Neural Computing and Applications"
DOI: 10.1007/s00521-019-04356-w
Abstract: The activity coefficient at infinite dilution of water in ionic liquids is a thermodynamic property of a paramount importance in separation processes. However, accurate modeling of this parameter remains a challenging task due to the… read more here.
Keywords: dilution water; coefficient infinite; infinite dilution; water ... See more keywords
Electromotive force study of lanthanum in liquid bismuth
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.06.003
Abstract: Abstract The thermodynamics of lanthanum (La) dissolved in liquid bismuth (Bi) were determined by means of the electromotive force (EMF) measurement using a galvanic cell consisting of molten chloride and liquid bismuth at the temperature… read more here.
Keywords: bismuth; activity coefficient; liquid bismuth; electromotive force ... See more keywords
Generalization of Guggenheim's combinatorial activity coefficient equation
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.06.092
Abstract: Abstract We revisit Guggenheim's theory to demonstrate that the change in Gibbs energy of athermally mixing molecules can be generalized into a model that requires only the mole fraction, volume and contact area of the… read more here.
Keywords: guggenheim combinatorial; activity coefficient; generalization guggenheim; combinatorial activity ... See more keywords
The activity coefficient within the solvation thermodynamics formalism: Fundamentals and applications to neutral solutes
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2019.03.025
Abstract: Abstract The solvation thermodynamics is a molecular based statistical mechanics description of the solvation process, which provides a proper distinction from other processes that uniquely and unambiguously defines the solvation of any species in any… read more here.
Keywords: activity coefficient; solvation thermodynamics; activity;
Revisiting the Classic Activity Coefficient Models
Sign Up to like & getrecommendations! Published in 2021 at "Industrial & Engineering Chemistry Research"
DOI: 10.1021/acs.iecr.0c06330
Abstract: A link, established between the classic excess Gibbs free energy expressions and conventional mixture models, allowed the extension of the Margules and van Laar models to multicomponent mixtures. I... read more here.
Keywords: revisiting classic; coefficient models; activity coefficient; chemistry ... See more keywords
Functional-Segment Activity Coefficient Equation of State: F-SAC-Phi
Sign Up to like & getrecommendations! Published in 2019 at "Industrial & Engineering Chemistry Research"
DOI: 10.1021/acs.iecr.9b02190
Abstract: COSMO-RS refinements and applications have been the focus of numerous works, mainly due to their great predictive capacity. However, these models do not directly include pressure effects. In this work, a methodology for the inclusion… read more here.
Keywords: functional segment; sac; activity; sac phi ... See more keywords
Activity Coefficient of Bromide Ions in the Glucoamylase Solution
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.9b00251
Abstract: In this work, the electrodynamic potential E of the sodium bromide (NaBr) solution and tetrabutyl-ammonium bromide (TBAB) solution in the presence of glucoamylase was determined with an ion selective electrode at 278.15, 288.15, and 298.15… read more here.
Keywords: activity; bromide ions; activity coefficient; bromide ... See more keywords
Activity Coefficient Measuring and Modeling for a Single and Symmetrical Mixture in a Mixed Solvent and Friedman’s Footprint of a Higher-Order Limiting Law
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.9b00608
Abstract: This study is conducted to investigate the HCl + NaCl + H2O + C2H5OH mixed electrolyte systems. The experimental activity coefficients are collected through measuring the electromotive force by using a cell containing pH and… read more here.
Keywords: mixed solvent; higher order; order limiting; activity coefficient ... See more keywords
Antioxidant Activity Coefficient, Mechanism, and Kinetics of Different Derivatives of Flavones and Flavanones Towards Superoxide Radical
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DOI: 10.17221/447/2010-cjfs
Abstract: ●– ●– room temperature. The scavenging of the radical was monitored by the decrease in anodic or/and cathodic currents while linearly increasing the concentration of the flavonoid. The strength of interaction was quantified in terms… read more here.
Keywords: activity coefficient; antioxidant activity; activity; mechanism ... See more keywords
Research Progress of the Ion Activity Coefficient of Polyelectrolytes: A Review
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DOI: 10.3390/molecules28052042
Abstract: Polyelectrolyte has wide applications in biomedicine, agriculture and soft robotics. However, it is among one of the least understood physical systems because of the complex interplay of electrostatics and polymer nature. In this review, a… read more here.
Keywords: progress ion; research progress; activity; activity coefficient ... See more keywords