Results 31 to 40 of about 22,691 (291)
The Ionic Product of Water in the Eye of the Quantum Cluster Equilibrium
Molecules, 2022 The theoretical description of water properties continues to be a challenge. Using quantum cluster equilibrium (QCE) theory, we combine state-of-the-art quantum chemistry and statistical thermodynamic methods with the almost historical Clausius–Clapeyron
Barbara Kirchner +3 more
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Green Chemical EngineeringVaporization enthalpy (ΔvapH) is a fundamental thermodynamic property of ionic liquids (ILs). Accurate prediction of vaporization enthalpy relies on appropriate mathematical models grounded in precise experimental measurements. The quantitative structure-
Changzheng Ji +6 more
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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
Study of diesel oil vaporization process
Горные науки и технологии, 2018 Applying scientific-research findings in practice requires systematic studying characteristics, parameters, and physical and chemical properties of materials.
D. A. Sharifov +5 more
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Comparison of molecular models of carbon monoxide for calculation of vapor-liquid equilibrium
Revista Facultad de Ingeniería Universidad de Antioquia, 2015 There are a number of molecular models for carbon monoxide developed from different experimental measurements. This paper aims to compare the results that several of these models produced in the calculation of vapor-liquid equilibrium, in order to ...
Bibian Alonso Hoyos-Madrigal +1 more
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Measuring the atmospheric organic aerosol volatility distribution: a theoretical analysis [PDF]
Atmospheric Measurement Techniques, 2014 Organic compounds represent a significant fraction of submicrometer atmospheric aerosol mass. Even if most of these compounds are semi-volatile in atmospheric concentrations, the ambient organic aerosol volatility is quite uncertain.
E. Karnezi, I. Riipinen, S. N. Pandis
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Dynamic modeling of three-phase upflow fixed-bed reactor including pore diffusion [PDF]
, 2002 The dynamics of a three-phase upflow fixed-bed reactor are investigated using a non-isothermal heterogeneous model including gas–liquid and liquid–solid mass transfer and diffusion/reaction phenomena inside the catalyst.
A.M Wilhelm +16 more
core +4 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
Flow boiling heat transfer of a non-azeotropic mixture inside a single microchannel [PDF]
, 2014 This paper was presented at the 4th Micro and Nano Flows Conference (MNF2014), which was held at University College, London, UK. The conference was organised by Brunel University and supported by the Italian Union of Thermofluiddynamics, IPEM, the ...
4th Micro and Nano Flows Conference (MNF2014) +3 more
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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