The Prediction of Surface Tension and Thermodynamic Analysis of the Surface in Mixtures of Cryogenic Liquids
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Solution Chemistry"
DOI: 10.1007/s10953-018-0718-z
Abstract: The surface tensions of 42 binary cryogenic mixtures at low temperature are correlated using the Shereshefsky model and excellent results are obtained. The average percent deviation is about ∼ 1.08%. The Gibbs energy change in the… read more here.
Keywords: surface; gibbs energy; surface tension;
Derivations of Partial Molar Excess Gibbs Energy of Mixing Expressions for Common Thermodynamic Models
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Phase Equilibria and Diffusion"
DOI: 10.1007/s11669-021-00886-w
Abstract: Modern computational thermodynamics methods rely on the use of numerical models that represent chemical systems. Typically, these models are formulated in terms of the Gibbs energy, which must be minimised to find the conditions of… read more here.
Keywords: gibbs energy; partial molar; derivations partial; energy ... See more keywords
Standard Gibbs energy of metabolic reactions: II. Glucose-6-phosphatase reaction and ATP hydrolysis.
Sign Up to like & getrecommendations! Published in 2017 at "Biophysical chemistry"
DOI: 10.1016/j.bpc.2017.02.005
Abstract: ATP (adenosine triphosphate) is a key reaction for metabolism. Tools from systems biology require standard reaction data in order to predict metabolic pathways accurately. However, literature values for standard Gibbs energy of ATP hydrolysis are… read more here.
Keywords: reaction; hydrolysis; standard gibbs; gibbs energy ... See more keywords
Guaiacol and its mixtures: new data and predictive models. Part 2: Gibbs energy of solvation
Sign Up to like & getrecommendations! Published in 2018 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2018.04.004
Abstract: Abstract Guaiacol is a model molecule for lignocellulosic biomass processing, and thus understanding its interactions with solvents is an important step when developing units for processing lignocellulosic biomass. In this work, activity coefficient measurements of… read more here.
Keywords: predictive models; guaiacol; gibbs energy; energy solvation ... See more keywords
New thermodynamic data for KNO3-sucrose-water ternary system: Water activity, osmotic coefficient, activity coefficient, excess Gibbs energy, solubility and transfer Gibbs energy at 298.15 K
Sign Up to like & getrecommendations! Published in 2020 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2019.112399
Abstract: Abstract On the basis of the measurement of relative humidity, the hygrometric method is used to determine the new thermodynamic data of water activity and osmotic coefficient of water-sucrose-potassium nitrate system in the wide range… read more here.
Keywords: system; gibbs energy; water; coefficient ... See more keywords
Speciation in electrolytes using the COSMO-RS solution model
Sign Up to like & getrecommendations! Published in 2020 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2020.112717
Abstract: Abstract A novel speciation theory solves for the identities and concentrations of all molecular compounds and complexes in an equilibrium state. The speciation range refers to the identity of all molecular compounds, their isomers, and… read more here.
Keywords: gibbs energy; model; solution; speciation electrolytes ... See more keywords
Thermodynamic investigation of NaF-ThF4 system and fuel salts of Molten Salt Reactor
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Fluorine Chemistry"
DOI: 10.1016/j.jfluchem.2018.05.003
Abstract: Abstract The standard molar Gibbs energy of formation of Na2ThF6(s) has been determined using an e.m.f. technique. The fluoride cell: (-) Pt, NiO(s) + NiF2(s)│CaF2(s)│ThOF2(s)+ Na2ThF6(s) + NaF(s), Pt (+) has been constructed to measure… read more here.
Keywords: system; gibbs energy; formation na2thf6; molten salt ... See more keywords
Investigating the use of excess Gibbs energy to predict the hydrophobicity of a mineral treated with a collector
Sign Up to like & getrecommendations! Published in 2021 at "Minerals Engineering"
DOI: 10.1016/j.mineng.2020.106692
Abstract: Abstract The paper sets out to determine whether there is any evidence to support the hypothesis that the hydrophobicity of a mineral particle treated with a collector may be strongly related to the fact that… read more here.
Keywords: gibbs energy; excess gibbs; collector; hydrophobicity mineral ... See more keywords
A Gibbs energy view of double hysteresis in ZrO2 and Si-doped HfO2
Sign Up to like & getrecommendations! Published in 2020 at "Applied Physics Letters"
DOI: 10.1063/5.0018199
Abstract: The Gibbs energy can yield fundamental insight into the material properties of ferroelectrics such as energy barriers and phase transitions. Particularly for newly emerging classes of ferroelectric and antiferroelectric materials, such as fluorite-structured HfO2 and… read more here.
Keywords: doped hfo2; gibbs energy; energy; zro2 ... See more keywords
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.98.224106
Abstract: The temperature-dependent intrinsic stacking fault Gibbs energy is computed based on highly converged density-functional-theory (DFT) calculations for the three prototype face-centered cubic metals ... read more here.
Keywords: temperature; fault gibbs; gibbs energy; stacking fault ... See more keywords