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QSPR models for n-octanol/water partition coefficient and enthalpy of vaporization using CDFT and information theory-based descriptors
The quantitative structure-property relationship (QSPR) technique is used to gauge the n-octanol/water partition coefficient (log K OW ) and enthalpy...
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Enthalpy entransy dissipation model for liquid dehumidification/regeneration and its application in a two-stage liquid dehumidification system
From the perspective of thermal-mass coupled transfer capacity, the enthalpy entransy dissipation number was proposed in this paper. Analytical...
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Measurement and Modeling of Excess Molar Volume and Excess Enthalpy of n-Tridecane or n-Tetradecane with Decalin by Application of PFP Theory
The experimental measurement of density and enthalpy of mixture for two binary liquid mixtures of n -tridecane or n -tetradecane with decalin was...
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Estimation of Enthalpy of Formation Using Benson’s Group Addition and Functional Group Correction
T he enthalpies of formation of solid organic compounds containing carbon, nitrogen, oxygen, and hydrogen were estimated using two suggested...
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Enthalpy of immersion of activated carbon in aliphatic and aromatic organic solvents: benzene, toluene, cyclohexane, hexane, and in binary mixtures of these compounds
The immersion enthalpy of activated carbons (with different surface characteristics) into benzene, toluene, cyclohexane, and hexane was evaluated....
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Enthalpy of Sublimation of Organic and Metal-Organic Compounds: Influence of the Polarization Effect
AbstractThe published data on the enthalpy of sublimation Δ H sub for 13 series of organic and metal-organic compounds are considered using the...
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Calculation of the Formation Enthalpy and the Ionic Equilibrium Constant of Organic Substances by Quantum Chemistry Methods
AbstractUsing composite methods of quantum chemical calculations and the atomization method, the values of the enthalpy of formation for a test set...
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The calculation models of vapor-liquid equilibrium, enthalpy and entropy for R152a/R1234ze(E)
To mitigate the impact of human activities on the environment, R22 with ODP not equal to 0 and high GWP must be weeded out. R1234ze has excellent...
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Enthalpy–entropy compensation and isoequilibrium relationship in thermo-chemical conversion of cigarette butt filters (CBFs) based on cellulose acetate (CA): causes and effects
The aim of this study is to explain the consequences of the occurrence of enthalpy–entropy compensation (EEC) and isoequilibrium relationship during...
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Thermodynamically Traceable Calorimetric Results for Aqueous Sodium Chloride Solutions from T = (273.15 to 373.15) K up to the Saturated Solutions: Part 1—The Quantities Associated with the Partial Molar Enthalpy
The three-parameter extended Hückel equations with parameters B, b 1 , and b 2 have recently been successfully tested against existing vapor pressure,...
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Analysis of differential scanning calorimetry (DSC): determining the transition temperatures, and enthalpy and heat capacity changes in multicomponent systems by analytical model fitting
We have developed an analytical method to quantitatively analyze differential scanning calorimetry (DSC) experimental data. This method provides...
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Lines of a Single Compressibility Factor and Ideal Enthalpy on the Phase Diagram of Liquids
AbstractThe behavior of ideal lines for pressure and enthalpy and the related similarity laws on the density–temperature phase diagram for various...
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High-precision standard enthalpy of formation for polycyclic aromatic hydrocarbons predicting from general connectivity based hierarchy with discrete correction of atomization energy
The standard enthalpy of formation is an important predictor of the reaction heat of a chemical reaction. In this work, a high-precision method was...
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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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Comparison of two enthalpic models for the thermodynamic characterization of the soil organic matter in beech and oak forests
The thermodynamic characterization of the soil organic matter could be achieved by different enthalpic models little explored for soil. This paper...
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Numerical study on melting and heat transfer characteristics of paraffin wax/ SiC paraffin using enthalpy-porosity model
The present numerical study addresses the buoyancy assisted transient two-dimensional early-stage heat transfer and melting process of PCM’s in a...
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Use of Partial Molal Enthalpy for Refining the Partition of Water Activity into Electrostatic and Nonelectrostatic Components
This paper describes a procedure to precisely decouple the electrostatic and the nonelectrostatic contributions to the water activity of an...
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Theoretical estimation of the sublimation enthalpy of azoles
The crystal structures of number of azoles were modeled using the quantum chemical and Atom-Atom potential methods. The crystal packing was carried...
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Advanced Models of Bonding
In this chapter, we’ll take the models that we first constructed in Chap. 8 and build upon them to address their...
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Design and selection of suitable sustainable phase change materials for latent heat thermal energy storage system using data-driven machine learning models
The present study aims to develop and implement data-driven machine learning (ML) models for performance prediction of heat flow and specific heat of...
