Mono‐silicon isoelectronic replacement in CAl4: van't hoff/le bel carbon or not?
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26079
Abstract: In cluster studies, the isoelectronic replacement strategy has been successfully used to introduce new elements into a known structure while maintaining the desired topology. The well‐known penta‐atomic 18 valence electron (ve) species CAl42− and its… read more here.
Keywords: isoelectronic replacement; hoff bel; carbon; van hoff ... See more keywords
Ketoconazole solubility in aqueous binary mixtures of 1‑propanol at various temperatures
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2019.111382
Abstract: Abstract The aim of this work is to have a brief overview on various solubilization methods reported for ketoconazole and using a commonly used method, i.e. cosolvency for enhancement of ketoconazole in binary mixtures of… read more here.
Keywords: van hoff; mixtures propanol; binary mixtures; jouyban acree ... See more keywords
Comments on “Experimental measurements, equilibrium study and model correlation of methyl paraben in ethanol and methanol aqueous solutions from = (293.15–323.15) K”
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2019.111807
Abstract: Abstract A polemic is given regarding the curve-fitting parameters for the Van’t Hoff and Yaws equations that were reported in the published paper by Noubigh and Akemi. For several of the binary solvent mixtures studied… read more here.
Keywords: measurements equilibrium; experimental measurements; comments experimental; van hoff ... See more keywords
Solubility of caffeine in carbitol + ethanol mixture at different temperatures
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.112465
Abstract: Abstract The solubility of caffeine in non-aqueous mixed solutions of carbitol and ethanol at different temperatures are determined by a shake-flask method and fitted to some reported cosolvency models including the van't Hoff, the double… read more here.
Keywords: different temperatures; carbitol ethanol; solubility; van hoff ... See more keywords
Comparison of the nonlinear and linear forms of the van't Hoff equation for calculation of adsorption thermodynamic parameters (∆S° and ∆H°)
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.113315
Abstract: Abstract The use of nonlinear fitting of data of isotherm and kinetics is becoming more frequently used in the adsorption literature since the authors are becoming convinced that the use of linear isotherm and kinetics… read more here.
Keywords: adsorption; thermodynamic parameters; van hoff; parameters obtained ... See more keywords
Measurement and correlation of fexofenadine hydrochloride solubility in ethanol + water mixtures at T = (293.2 to 313.2) K
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.115554
Abstract: Abstract The solubilization behavior and thermodynamics of fexofenadine.HCl in the binary mixtures of ethanol and water at temperature range of T = (293.2–313.2) K are investigated and the generated solubility data are mathematically represented by using four… read more here.
Keywords: measurement correlation; 293 313; van hoff; solubility ... See more keywords
Solubility measurement and thermodynamic modeling of caffeine in N-methyl-2-pyrrolidone + isopropanol mixtures at different temperatures
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.116519
Abstract: Abstract The solubility knowledge of pharmaceutical compounds in pure solvents and solvent mixtures has a critical role in formulation, separation and purification in the pharmaceutical and chemical industries. In the article ahead, the solid–liquid equilibria… read more here.
Keywords: methyl pyrrolidone; van hoff; solubility; different temperatures ... See more keywords
Two-Dimensional Anti-Van't Hoff/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.8b13075
Abstract: We report the discovery of a rule-breaking two-dimensional aluminum boride (AlB6-ptAl-array) nanosheet with a planar tetracoordinate aluminum (ptAl) array in a tetragonal lattice by comprehensive crystal structure search, first-principles calculations, and molecular dynamics simulations. It… read more here.
Keywords: array; hoff bel; two dimensional; anti van ... See more keywords
Li-decorated carbyne for hydrogen storage: charge induced polarization and van't Hoff hydrogen desorption temperature
Sign Up to like & getrecommendations! Published in 2020 at "Sustainable Energy and Fuels"
DOI: 10.1039/c9se00706g
Abstract: We have studied carbyne as a promising hydrogen storage material. Density functional theory simulations with vdW corrections have been used to investigate lithium sorption on carbyne and the interaction of pristine and Li-functionalized carbon chains… read more here.
Keywords: hydrogen storage; hydrogen; carbyne; van hoff ... See more keywords
The Need for Accurate Osmotic Pressure and Mass Transfer Resistances in Modeling Osmotically Driven Membrane Processes
Sign Up to like & getrecommendations! Published in 2021 at "Membranes"
DOI: 10.3390/membranes11020128
Abstract: The widely used van ’t Hoff linear relation for predicting the osmotic pressure of NaCl solutions may result in errors in the evaluation of key system parameters, which depend on osmotic pressure, in pressure-retarded osmosis… read more here.
Keywords: van hoff; osmotic pressure; pressure; mass transfer ... See more keywords