Results 51 to 60 of about 22,587 (278)
Liquids, 2023 Spectrophotometric measurements were used to determine the mole fraction solubilities of vitamin K4 dissolved in cyclohexane, methylcyclohexane, 1-heptanol, 2-butanol, 2-pentanol, 2-methyl-1-butanol, 4-methyl-2-pentanol, and cyclopentanol at 298.15 K ...
Saikiran Motati +3 more
doaj +1 more source
Thermodynamic anomalies in a lattice model of water: Solvation properties
, 2005 We investigate a lattice-fluid model of water, defined on a 3-dimensional body-centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms. The model is similar to the one proposed by Roberts and Debenedetti [
C. Buzano +3 more
core +1 more source
Complexation of lithium and sodium cations with B-phosphorylate ethers, modelling terminal groups of organophosphorus podands. An experimental and theoretical study [PDF]
, 1992 The organophosphorus compounds o-Ph2P(O)C6H4OCH3 and Ph2P(O)C2H4OCH3, which are analogs of podands' terminal groups, have been synthesized. The thermodynamic characteristics of their complexation with LiNCS and NaNCS in acetonitrile were obtained by ...
Baulin, V.E. +5 more
core +3 more sources
Advanced Engineering Materials, EarlyView.This paper presents a novel approach to reducing oxide layers on metal powders using low‐temperature hydrogen dielectric barrier discharge plasmas at atmospheric pressure. Unlike conventional hydrogen‐plasma reductions, the powders do not contact the plasma directly.
Shukang Zhang +3 more
wiley +1 more source
Molecular correlations and solvation in simple fluids
, 2010 We study the molecular correlations in a lattice model of a solution of a low-solubility solute, with emphasis on how the thermodynamics is reflected in the correlation functions.
Barbosa, Marco A. A., Widom, B.
core +1 more source
Enthalpies of solvation of hydroxyl cyclohexane derivatives in different solvents [PDF]
The Journal of Chemical Thermodynamics, 1999 Abstract The enthalpies of solution of cyclohexanol, cis -1,2-cyclohexanediol, and myo -inositol in water, formamide, and dimethylsulphoxide at T = 298.15 K as well as their enthalpies of vaporization or sublimation were determined. The enthalpies of solvation were calculated from the data obtained.
Costa, Felisbela S. +3 more
openaire +2 more sources
Advanced Engineering Materials, EarlyView.A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič +7 more
wiley +1 more source
Predicción del volumen molar y la entalpía molar de vaporización de moléculas orgánicas usando variables determinadas mediante el modelo de apantallamiento tipo conductor (COSMO) [PDF]
Avances en Química, 2011 Using the method of solvation Conductor-like Screening Model (COSMO) and the method of Amovilli-Menucci GAMESS program content, we estimated the free energies of van der Waals and electrostatic of organic molecules in their dielectric medium.
José G. Parra, Yosslen R. Aray
doaj
Free Energy, Enthalpy and Entropy from Implicit Solvent End-Point Simulations
Frontiers in Molecular Biosciences, 2018 Free energy is the key quantity to describe the thermodynamics of biological systems. In this perspective we consider the calculation of free energy, enthalpy and entropy from end-point molecular dynamics simulations. Since the enthalpy may be calculated
Federico Fogolari +6 more
doaj +1 more source
Scientific Reports, 2022 This paper threw some light on the behavior of Sodium N,N-Dimethyldithiocarbamate as an electrolyte. The effect of solvents on the conductance of this salt would be discussed via measurements of Λo, ao and KA, since it can be assumed that the different ...
W. A. Hammad +4 more
doaj +1 more source