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Kinetics of reaction between hydrogenated dimer fatty acid C36 and 4,4′-methylene bis(cyclohexylamine): determination of thermodynamic constants
This study examined the kinetic reaction between hydrogenated dimer fatty acid C36 and 4,4′-methylene bis(cyclohexylamine) in the melt phase at 140,...
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Selecting Reference States in Thermodynamic Descriptions of Non-Exchangeable Sorption
AbstractSelecting standard and reference states for a thermodynamic description of the non-exchange sorption of substances by ion exchangers is...
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Evaluation of Thermodynamic Model of Pd(II) Complex Formation with Isosaccharinic Acid
Palladium-107 is one of the selected radionuclides in the safety assessment of geological disposal of radioactive waste. Although isosaccharinic acid...
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Thermodynamic Basicity Constants of Highly Substituted Manganese Porphyrazines and Their Connection to the Structure of Molecules
AbstractThermodynamic equilibrium constants of protonation of (acetato)(octakis)(4- tert -butylphenyl)- and...
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The Implications of Pressure on Mechanical and Thermodynamic Properties of Ni2X (X = Sc, Ti, V)Al: DFT Calculation
AbstractIn this study, the structural, mechanical, anisotropic, and thermodynamic properties of the L2 1 cubic Ni 2 XAl alloy were investigated under a...
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First-Principles Calculations of Structural, Elastic, Electronic, and Thermodynamic Properties of ATiO3 (A = Ba or Pb) Perovskites
AbstractIn this work, we have calculated the structural, elastic and thermodynamic properties of BaTiO 3 and PbTiO 3 compounds in rock-salt crystal...
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Thermodynamic Data for Sn(IV) Species in Aqueous Solution: A Matter of Controversy and Error
Critically assessed data regarding Sn(IV) dioxides and hydroxy complexes have recently been challenged. Differences as large as nine orders of...
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Constants of Ionization of L-Alanine at Different Ionic Strengths of a Solution and Concentrations of Amino Acid
AbstractProcesses of alanine ionization are studied via potentiometry at a temperature of 298.15 K and different ionic strengths of a NaHClO 4 ...
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Thermodynamic model: steam and oxidative reforming of methane over nickel catalyst
In this paper, we have used a thermodynamic model for the first time to investigate the steam and oxidative reforming of methane over a nickel...
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Kinetics, thermodynamics and stability constants of aniline oxidative coupling reaction with promethazine: experimental and computational study
A spectrophotometric method was employed to investigate the kinetics and thermodynamics of the oxidative coupling reaction between aniline and...
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Thermodynamic Analysis of Aluminum Oxide Chlorination
AbstractA thermodynamic analysis of the chlorination of aluminum oxide was performed for the main possible reactions of interaction with chlorine....
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Comprehensive Analytical Sorption Thermodynamic (CAST) model for water vapor sorption in cellulosic materials
Water vapor sorption is a fundamental property of cellulosic materials. Numerous theoretical and empirical models have been developed to describe the...
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The units of rate constants in chemical kinetics
This short article discusses the units of rate constants as used in chemical kinetics and, in particular, the aspect of non-integral powers of base...
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Revisiting the Thermodynamic Characteristics of Titanium Fluorides
AbstractNew values for the standard enthalpies of formation of titanium fluorides at 0 K have been obtained by revisiting data on homogeneous and...
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Thermodynamic Simulation of Thermal Processes Involving Actinides (U, Am, Pu) during Heating of Radioactive Graphite in a Mixture of Water Vapor and Oxygen
AbstractThe behavior of uranium, americium, and plutonium compounds contained in radioactive graphite during its heating in a mixture of water vapor...
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Thermodynamic Modeling of Thermal Processes Involving Radionuclides of Uranium, Plutonium, Europium on Heating of Nuclear Graphite in Air
AbstractThe behavior of U, Pu, and Eu radionuclides on heating of nuclear graphite in air was investigated by thermodynamic modeling. A complete...
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Electronic, Structural, Elastic, and Thermodynamic Properties of X2TiBr6 (X = Li and Na) under Pressure: A DFT Investigation
AbstractWe investigate the electronic, structural, elastic, and thermodynamic properties of X 2 TiBr 6 (X = Li and Na) under pressure using the DFT...
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Mixed-Ligand Nickel(II) Complexes with Histidine and Cysteine in Aqueous Solution: Thermodynamic Approach
Potentiometric and calorimetric study on mixed-ligand complexes of nickel(II) ion with histidine (His) and cysteine (Cys) has been carried out in...
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Thermodynamic Characterization of Nucleic Acid Nanoparticles Hybridization by UV Melting
The advances in nucleic acid nanotechnology have given rise to various elegantly designed structural complexes fabricated from DNA, RNA, chemically... -
Griseofulvin: Thermodynamic insight to solubility, solvation and partition processes
The solubility of griseofulvin in buffer solutions (pH 2.0 and 7.4), 1-octanol and hexane was measured in the temperature range 293.15–313.15 K by...