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Vapor–Liquid Equilibrium and Chemical Thermodynamics
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Vapor–Liquid Equilibrium and Chemical Thermodynamics

A special issue of Thermo (ISSN 2673-7264).

Deadline for manuscript submissions: closed (22 June 2022) | Viewed by 9908

Special Issue Editors

Dr. Mert Atilhan

E-Mail Website
Guest Editor
Chemical and Paper Engineering Department, Western Michigan University, 1903 W Michigan Ave, Kalamazoo, MI 49008-5462, USA
Interests: deep eutectic solvents; ionic liquids; CO2 capture; thermodynamics; molecular modeling
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Santiago Aparicio

E-Mail Website
Guest Editor
Department of Chemistry and ICCRAM, University of Burgos, 09001 Burgos, Spain
Interests: multiscale materials modeling; thermodynamics; in silico toxicology; safe and sustainable by design; deep eutectic solvents; CO2 capture; nanomaterials; phase equilibrium; physical chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue covers topics on the vapor–liquid equilibrium (VLE) from both a theoretical and experimental viewpoint. Molecular simulations (e.g., density functional theory and molecular dynamics) and experimental techniques that focus on the equilibrium compositions and the effect of temperature and pressure on the equilibrium are the main focus area.

This Special Issue aims to discuss the relationships that are essential to the thermodynamic treatment of the equilibrium, mostly between the liquid and vapor phases of systems, the determination of excess properties, the validation of models that express the systems most accurately, and other vital parameters, such as chemical potentials and fugacity/activity coefficients. Liquid–liquid equilibrium (LLE) is also in the scope of this Special Issue. Furthermore, high- and ultra-high-pressure experimental vapor phase properties (e.g., density, viscosity, and phase diagrams) of pure compounds and mixtures are also within the scope of this Special Issue. Computational work that attempts to provide a nanoscopic explanation of VLE and LLE systems, such as short-range interactions, interfacial effects of the liquid–liquid phases, and similar applications, will also be accepted.

This Special Issue will also accept specific studies on the methods for the direct determination of flash or distillation properties/optimization, the determination of dew and bubble points, and the flow properties of complex multi-component and multi-phase systems. Finally, this Special Issue also welcomes dedicated submissions that attempt to provide a comprehensive literature review that spans the last decade on the systems mentioned above, emphasizing VLE and LLE systems. An emphasis on ionic liquids, deep eutectic solvents, and organic acids will be highly appreciated.

You may choose our Joint Special Issue in Entropy.

Prof. Dr. Mert Atilhan
Prof. Dr. Santiago Aparicio
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Thermo is an international peer-reviewed open access quarterly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers (3 papers)

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Research

17 pages, 3573 KiB  
Article
The Influence of Plant Extract on the Phase Equilibrium of Structure I Gas Hydrate in a Simulated Offshore Environment
by Virtue Urunwo Wachikwu-Elechi, Sunday Sunday Ikiensikimama and Joseph Atubokiki Ajienka
Thermo 2023, 3(1), 21-37; https://doi.org/10.3390/thermo3010002 - 30 Dec 2022
Viewed by 1598
Abstract
Gas hydrate inhibitors, especially those used in offshore environments, are chemicals. These chemicals are synthetic in nature and pose both technical and environmental risks. This study emphasizes the influence of a Plant Extract (PE) on the phase behavior and equilibrium of structure I [...] Read more.
Gas hydrate inhibitors, especially those used in offshore environments, are chemicals. These chemicals are synthetic in nature and pose both technical and environmental risks. This study emphasizes the influence of a Plant Extract (PE) on the phase behavior and equilibrium of structure I (SI) gas hydrate and its inhibition efficiency. The PE was screened using a mini flow loop. From the pressure-temperature phase diagram, the various weight percentages of the PE were able to disrupt the thermodynamic equilibrium conditions of the water and gas molecules to lower temperatures and increase pressures, which caused a shift in the equilibrium curve to an unstable hydrate formation zone. The pressure versus time plot as well as the inhibition efficiency plots for the PE and Mono Ethylene Glycol (MEG) were evaluated. Overall, the inhibition efficiency of the PE was higher than that of MEG for 1 wt% (60.53%) and 2 wt% (55.26%) but had the same efficiency at 3 wt% (73.68%). The PE at 1 wt% had the greatest inhibition effect and adjudged the optimum weight percent with a well-regulated phase equilibrium curve. This shows that PE is a better gas hydrate inhibitor than MEG, which is toxic to both human and aquatic life; therefore, it is recommended for field trials. Full article
(This article belongs to the Special Issue Vapor–Liquid Equilibrium and Chemical Thermodynamics)
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9 pages, 557 KiB  
Article
Separation of Alcohols from n-Tetradecane Using 1-Ethyl-3-methylimidazolium Hydrogensulfate
by Guillaume Ah-Lung, Claire Besnard, Flavien Ivol, Carine Maaliki, Terri-Louise Hughes, Peter Goodrich and Johan Jacquemin
Thermo 2022, 2(3), 200-208; https://doi.org/10.3390/thermo2030015 - 20 Jul 2022
Viewed by 1528
Abstract
Extraction of alcohols from n-tetradecane using various extraction solvents has been investigated at a range of temperatures from 295 to 393 K under ambient pressure. On the basis of the experimental liquid–liquid equilibrium data, the distribution ratio and selectivity were calculated for [...] Read more.
Extraction of alcohols from n-tetradecane using various extraction solvents has been investigated at a range of temperatures from 295 to 393 K under ambient pressure. On the basis of the experimental liquid–liquid equilibrium data, the distribution ratio and selectivity were calculated for the extraction of 1-octanol, 1-decanol, and 1-dodecanol (C8–C12) in 1-ethyl-3-methylimidazolium hydrogensulfate [C2mim][HSO4] and sulfolane. Results showed that moderate selectivities were obtained in sulfolane with very low distribution coefficients. In contrast, [C2mim][HSO4] showed similar selectivity values with higher distribution coefficients. A study of a number of different 1-alcohols (C4–C12) showed that the decrease in hydrogen bonding compared to the increased van der Waals interactions between n-tetradecane and the higher-chain alcohols decreased the extraction selectivity in [C2mim][HSO4]. Increasing the temperature of the ionic liquid extraction medium resulted in increased chemical extraction for 1-butanol and 1-hexanol due to the formation of the corresponding alkylsulfate ionic liquid. In contrast, the selectivity decreased for 1-octanol, 1-decanol and 1-dodecanol due to the partial dissolution of the corresponding alkylsulfate ionic liquid into the n-tetradecane phase. Full article
(This article belongs to the Special Issue Vapor–Liquid Equilibrium and Chemical Thermodynamics)
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11 pages, 2166 KiB  
Article
Study of Thermodynamic Modeling of Isothermal and Isobaric Binary Mixtures in Vapor-Liquid Equilibrium (VLE) of Tetrahydrofuran with Benzene (303.15 K) Cyclohexane (333.15 K), Methanol (103 kPa), and Ethanol (100 kPa)
by Leonardo Steyman Reyes Fernández, Eliseo Amado-Gonzaléz and Erik Germán Yanza Hurtado
Thermo 2021, 1(3), 286-296; https://doi.org/10.3390/thermo1030019 - 11 Oct 2021
Viewed by 4845
Abstract
Tetrahydrofuran (THF) is an aprotic solvent with multiple applications in diverse areas of chemical, petrochemical, and pharmaceutical industries with an important impact in chemical waste liquid with other solvents. In this work, 51 available VLE data, for isothermal binary mixtures of THF(1) + [...] Read more.
Tetrahydrofuran (THF) is an aprotic solvent with multiple applications in diverse areas of chemical, petrochemical, and pharmaceutical industries with an important impact in chemical waste liquid with other solvents. In this work, 51 available VLE data, for isothermal binary mixtures of THF(1) + Benzene(2) and THF(1) + Cyclohexane(2) at 303.15 and 333.15 K, respectively, and isobaric THF(1) + Methanol(2) at 103 kPa and THF(1) + Ethanol(2) at 100 kPa were used in the development of the activity coefficient models. The quality of experimental data was checked using the Herington test. VLE binary data was correlated with models Wilson, NRTL UNIQUAC, and UNIFAC to obtain binary parameters and activity coefficients. The best thermodynamic consistency when conducting the Herington test for the VLE data was found for the THF(1) +Cyclohexane(2) isothermal system and THF(1) + Ethanol(2) isobaric system. The UNIQUAC model for isothermal systems THF(1) + Benzene(2) and THF(1) + Cyclohexane(2), the NRTL model for the isobaric system THF(1) + Methanol(2), and the UNIQUAC model for THF(1) + Ethanol(2) perform better than the other models. Full article
(This article belongs to the Special Issue Vapor–Liquid Equilibrium and Chemical Thermodynamics)
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