Results 31 to 40 of about 26,718 (332)

Comparison of methods for calculating the enthalpy of vaporization of binary azeotropic mixtures

Тонкие химические технологии
Objectives. To calculate the molar enthalpy of vaporization of binary homogeneous mixtures based on isothermal and isobaric vapor–liquid equilibrium data, and to compare the results of calculation of molar enthalpy of vaporization by different methods ...
D. A. Ryzhkin, V. M. Raeva
doaj   +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  

Vaporization enthalpy prediction of ionic liquids based on back-propagation artificial neural network

Green Chemical Engineering
Vaporization 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, Zhaochong Shi, Yichao Zheng, Weike Wang, Jialin Shi, Changjun Peng, Honglai Liu   +6 more
doaj   +1 more source

Estimation of the volatility distribution of organic aerosol combining thermodenuder and isothermal dilution measurements [PDF]

Atmospheric Measurement Techniques, 2017
A method is developed following the work of Grieshop et al. (2009) for the determination of the organic aerosol (OA) volatility distribution combining thermodenuder (TD) and isothermal dilution measurements. The approach was tested in experiments that
E. E. Louvaris, E. E. Louvaris, E. Karnezi, E. Kostenidou, C. Kaltsonoudis, C. Kaltsonoudis, S. N. Pandis, S. N. Pandis, S. N. Pandis   +8 more
doaj   +1 more source

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

Journal of Chemical Theory and Computation, 2011
The chemical composition of small organic molecules is often very similar to amino acid side chains or the bases in nucleic acids, and hence there is no a priori reason why a molecular mechanics force field could not describe both organic liquids and ...
C. Caleman, Paul J van Maaren, M. Hong, J. Hub, Luciano T. Costa, D. van der Spoel   +5 more
semanticscholar   +1 more source

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, I. Kh. Khalilov, Sh. Z. Nazhmudinov, M. Y. Yunusov, A. Badalov, M. A. Toshev   +5 more
doaj   +1 more source

Hydrogen Storage: Thermodynamic Analysis of Alkyl-Quinolines and Alkyl-Pyridines as Potential Liquid Organic Hydrogen Carriers (LOHC)

Applied Sciences, 2021
The liquid organic hydrogen carriers (LOHC) are aromatic molecules, which can be considered as an attractive option for the storage and transport of hydrogen. A considerable amount of hydrogen up to 7–8% wt.
Sergey P. Verevkin, Sergey P. Safronov, Artemiy A. Samarov, Sergey V. Vostrikov   +3 more
doaj   +1 more source

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, Farid Chejne-Janna   +1 more
doaj   +1 more source

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, Johannes Ingenmey, Michael von Domaros, Eva Perlt   +3 more
doaj   +1 more source

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, C Julcour, Diaz, Gabarain, H Delmas, Hindmarsh, J.M Le Lann, Julcour, Julcour, Lange, Lange, R.V Chaudhari, Reid, Specchia, Stüber, Visser, Wärna   +16 more
core   +4 more sources