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Calculating the Gibbs Energy of Solvation of Pyridine in Nonaqueous Solvents
AbstractGibbs energies of the solvation of pyridine (Py) in methanol, acetonitrile, and N,N -dimethylformamide are calculated via quantum chemical...
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Modified GAB model of sorption on banana: spreading pressure and Gibbs free energy
This study aims to determine the modelling of the sorption phenomenon, which is influenced by temperature and relative humidity in Barlin bananas....
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Random Forest Algorithm-Based Prediction of Solvation Gibbs Energies
Solvation Gibbs energy of chemicals is a critical parameter in chemical industry and chemical reactivity. Predicting the solvation Gibbs energies for...
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Selecting Extractive Agents on the Basis of Composition–Excess Gibbs Energy Data
AbstractSelective agents for the extractive distillation of an acetone–methanol–chloroform–tetrahydrofuran mixture are selected, based on results...
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Frequency response of Gibbs free energy and enthalpy changes of electrochemical systems analyzed as thermometric transfer functions
Electron transfer reactions are usually accompanied by heat generated as a byproduct. This heat is the sum of reversible effects as the molar...
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Novel Carbene Hydroxymethylene Derivatives: Gibbs Free Energy, NBO, AIM, and Hammett Approaches
via DFT and MP2 MethodsAbstractDensity functional theory (DFT) and the Møller–Plesset expansion (MP2) calculations were benchmarked to characterize the structure of novel...
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Thermodynamics of the Sodium-Iron-Phosphate-Water System Under Hydrothermal Conditions II: The Solubility and Gibbs Energy of Formation of Maricite (NaFeIIPO4) from 220 to 300 °C
Maricite, NaFe II PO 4 , is an important iron(II) corrosion product in high-pressure steam generators operating under phosphate pH control. Experimental...
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Change in the Gibbs Energy of the Distribution System of Fractionation during the Separation of a Multicomponent Mixture
AbstractA procedure is considered for the single separation of a multicomponent mixture in a liquid–liquid extraction system. The fractionation...
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Evaluation on migration of radioactive metal in irradiated graphite waste during an innovative thermal treatment based upon the Gibbs free energy minimization
A novel treatment scheme for irradiated graphite waste in nuclear power plants was proposed in order to remove the radioactive metal by adding...
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Energy
The basic relationships among internal energy, enthalpy, free energy, entropy, and equilibrium constant are given. Bond dissociation enthalpies,...
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A Theoretical Approach to the Fluorophilicity of Ions via the Gibbs Energy of Ion Transfer at the Fluorous Solvent/Water Interface
The non-Bornian solvation model has been applied to a theoretical consideration of the Gibbs free energy for the transfer of fluorinated anions,...
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Gibbs Energy of Liquid Water and the Liquid–Liquid Critical Point Hypothesis
To study the relationship between liquid water and two amorphous ices in terms of energy, the Gibbs energy of liquid water was constructed as a...
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Increasing the exergetic efficiency in combustion chambers of gas turbines by modelling thermal energy transfer using entropy generation based on gibbs equation PDF-based
Combustion phenomenon in combustion chambers used in gas turbines is a complex process in which various factors are involved. Energy loss in these...
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Condensed-phase relative Gibbs free energy and E/Z descriptors for 2-acetylthiophene and 2-acetylthiophene-N1-phenyl thiosemicarbazones
Thiosemicarbazones (TSCs) encompasses a class of compounds relevant in the pharmacological context. Their specific applicability varies in function...
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Fluorination Effect on the Gibbs Transfer Energy for Methylene Group from 1,2-Dichloroethane or 1,1,1,2,3,4,4,5,5,5- Decafluoropentane to Water
The ion-transfer reactions of alkyl and perfluoroalkyl carboxylate ions (CH 3 (CH 2 ) n–2 COO– and CF 3 (C F2 ) n–2 COO–) at 1,2-dichloroethane (DCE) | water (W)...
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Estimation of Viscosity of Alloys Using Gibbs Free Energy of Mixing and Geometric Model
AbstractIn the present work, using mixing Gibbs free energies and Chou’s general solution model (GSM), by considering the excess activation energies...
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Energy
Energy (Greek energeia = acting force) is the “ability to do work”. Let us look at the “law of conservation of energy”, the (chemical) reaction...
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Theoretical investigation on the solid–liquid phase transition of gallium through free energy analysis
ContextGallium, renowned for its notably low melting point and unique property of becoming liquid at room temperature, is a valuable constituent in...
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Effects of CO2 and CH2 Adding on Steam Gasification of Biomass Renewable Energy for Syngas Production Considering Parametric Investigation
AbstractBiomass gasification technology is used as one of the energy sources due to its low effects on the environment and reducing pollution. This...
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Second Law of Thermodynamics, Gibbs’ Thermodynamics, and Relaxation Times of Thermodynamic Parameters
AbstractThe relationship between the second law of thermodynamics and Gibbs’ thermodynamics is discussed. The second law of thermodynamics is...