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Recent Developments on Thermochemistry and Chemical Thermodynamics by Young Researchers
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Recent Developments on Thermochemistry and Chemical Thermodynamics by Young Researchers

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

Deadline for manuscript submissions: closed (31 December 2022) | Viewed by 5294

Special Issue Editors

Prof. Dr. Stefano Vecchio Ciprioti

E-Mail Website
Guest Editor
Department of Basic and Applied Science for Engineering, Sapienza University of Rome, 00185 Roma, RM, Italy
Interests: thermodynamics of vaporization; thermodynamics of phase transitions; thermal stability; decomposition kinetics; ionic liquids
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Sergey Verevkin

E-Mail Website
Guest Editor
Department of Physical Chemistry, Faculty of Interdisciplinary Research, Competence Centre CALOR, Universitat Rostock, 18059 Rostock, Germany
Interests: chemical thermodynamics and thermochemistry; combustion calorimetry; determination of vaporization and sublimation enthalpies of organic compounds; modern applications of gas chromatography; ionic liquids; green chemistry and renewable technologies; biofuels

Special Issue Information

Dear Colleagues,

The International Symposium on Chemical Thermodynamics for Young Researchers (ISCTYR) will be held in Southern Italy (Laurino, Salerno), May 22-25, 2022. The event aims to join together leading experts in this field and young researchers coming from different European countries (Italy, Germany, France, Poland, Portugal) and from the Russian Federation.

Recent developments on Chemical Thermodynamics and Thermochemistry will be presented and discussed in nine plenary lectures (40 minutes), while more specific and relevant hot topics will be delivered in oral contributions (about 20-25 presentations of 15 minutes) by the young participants.

Selected papers presented by the participants to the ISCTYR International Symposium will be submitted to a peer-review procedure for publication in this journal.

Prof. Dr. Stefano Vecchio Ciprioti
Prof. Dr. Sergey Verevkin
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.

Keywords

  • heat capacities
  • phase transitions
  • combustion enthalpy
  • enthalpy of formation
  • enthalpy of reaction
  • entropy of reaction
  • gibbs free energy of reaction
  • ionic liquids
  • thermodynamics from quantum-chemistry
  • vapor pressure measurements

Published Papers (3 papers)

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Research

12 pages, 1114 KiB  
Article
Evaporation/Decomposition Behavior of 1-Butyl-3-Methylimidazolium Chloride (BMImCL) Investigated through Effusion and Thermal Analysis Techniques
by Bruno Brunetti, Andrea Ciccioli, Guido Gigli, Andrea Lapi, Giulia Simonetti, Elisa Toto and Stefano Vecchio Ciprioti
Thermo 2023, 3(2), 248-259; https://doi.org/10.3390/thermo3020015 - 24 Apr 2023
Cited by 1 | Viewed by 1086
Abstract
The evaporation/decomposition behavior of the ionic liquid 1-butyl-3-methylimidazolium chloride (BMImCl) was studied with various techniques, such as thermogravimetry (TG), Knudsen effusion mass loss (KEML), and Knudsen effusion mass spectrometry (KEMS), in order to investigate the competition between the simple evaporation of the liquid [...] Read more.
The evaporation/decomposition behavior of the ionic liquid 1-butyl-3-methylimidazolium chloride (BMImCl) was studied with various techniques, such as thermogravimetry (TG), Knudsen effusion mass loss (KEML), and Knudsen effusion mass spectrometry (KEMS), in order to investigate the competition between the simple evaporation of the liquid as gaseous ion pairs (NIP: neutral ion pair) and the thermal decomposition releasing volatile species. TG/DSC experiments were carried out from 293 to 823 K under both He and N2 flowing atmospheres on BMImCl as well as on BMImNTf2 (NTf2: bis(trifluoromethylsulfonyl)imide). Both ionic liquids were found undergoing a single step of mass loss in the temperature range investigated. However, while the BMImNTf2 mass loss was found to occur in different temperature ranges, depending on the inert gas used, the TG curves of BMImCl under helium and nitrogen flow were practically superimposable, thus suggesting the occurrence of thermal decomposition. Furthermore, KEML experiments on BMImCl (in the range between 398 and 481 K) indicated a clear dependence of the unit area mass loss rate on the effusion hole diameter, an effect not observed for the ILs with NTf2 anion. Finally, KEMS measurements in the 416–474 K range allowed us to identify the most abundant species in the vapor phase, which resulted in methyl chloride, butylimidazole, butyl chloride, and methylimidazole, which most probably formed from the decomposition of the liquid. Full article
(This article belongs to the Special Issue Recent Developments on Thermochemistry and Chemical Thermodynamics by Young Researchers)
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10 pages, 1845 KiB  
Article
Thermochemical Evaluation of Different Waste Biomasses (Citrus Peels, Aromatic Herbs, and Poultry Feathers) towards Their Use for Energy Production
by Elena Pulidori, José Gonzalez-Rivera, Chiara Pelosi, Carlo Ferrari, Luca Bernazzani, Emilia Bramanti, Maria Rosaria Tiné and Celia Duce
Thermo 2023, 3(1), 66-75; https://doi.org/10.3390/thermo3010004 - 10 Jan 2023
Cited by 5 | Viewed by 1544
Abstract
The biomass waste obtained at the end-of-pipe of the extraction industry can be used as fuel for energy production, aiming at cost reduction/waste disposal issues. However, few systematic investigations into the calorific value of these residues are reported in the literature. In this [...] Read more.
The biomass waste obtained at the end-of-pipe of the extraction industry can be used as fuel for energy production, aiming at cost reduction/waste disposal issues. However, few systematic investigations into the calorific value of these residues are reported in the literature. In this work, the thermochemical properties of solid residues from different biomasses (residues from citrus peels, leaves, flowers, stems, and poultry feathers used for extraction) as potential biomass fuels have been investigated. The heat of combustion (ΔcH) of the solid residues from citrus (orange, tangerine, lemon, grapefruit, and pomelo), aromatic herbs (rosemary, lavender, thyme, Artemisia vulgaris L. and Ruta chalepensis L.), and poultry feathers biomasses was measured by direct calorimetry. The results were compared with the higher heating values (HHV) calculated using the elemental (CHNOS) and thermogravimetric (TGA) analyses data and with the enthalpy of combustion calculated using the biomass composition predicted by FTIR spectroscopy in tandem with chemometrics. The calculated values match with the corresponding experimental values of ΔcH. The heat of combustion highlights the energetic features of solid residues for their potential uses as alternative biomass for energy production. This information is essential to evaluate the employment of solid residues as fossil fuel substitutes. Full article
(This article belongs to the Special Issue Recent Developments on Thermochemistry and Chemical Thermodynamics by Young Researchers)
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17 pages, 2079 KiB  
Article
Non-Covalent Interactions in Triglycerides: Vaporisation Thermodynamics for Quantification of Dispersion Forces
by Sergey P. Verevkin and Ruslan N. Nagrimanov
Thermo 2022, 2(3), 250-266; https://doi.org/10.3390/thermo2030018 - 30 Aug 2022
Cited by 1 | Viewed by 1447
Abstract
Qualitatively, the non-covalent interactions are well-known and help to explain many phenomena in chemistry and biochemistry. Quantitatively, determination of strength this force is a challenging task. The vaporization enthalpy is a reliable measure not only for the intermolecular interactions in the liquid phase, [...] Read more.
Qualitatively, the non-covalent interactions are well-known and help to explain many phenomena in chemistry and biochemistry. Quantitatively, determination of strength this force is a challenging task. The vaporization enthalpy is a reliable measure not only for the intermolecular interactions in the liquid phase, but also as the measure of intermolecular non-covalent interactions in the gas phase for the specific group of compounds, e.g., for the triglycerides. The vaporisation thermodynamics of four triglycerides were studied by using transpiration method, quartz crystal microbalance, and thermogravimetric analysis. Vapour pressure–temperature dependences were used to derive the enthalpies of vaporisation of these very low volatile liquids. Vaporisation enthalpies of the triglycerides available in the literature were collected and uniformly adjusted to the reference temperature 298.15 K and validated using structure–property relationships (chain-length dependence, correlation with retention indices, and correlation with normal boiling points). The consistent sets of evaluated vaporisation enthalpies for the linear and branched triglycerides were used to develop the “centerpiece” based group-additivity method for predicting enthalpies of vaporisation of triglycerides. It has turned out that the family of triglycerides do not obey the group-additivity rules. The reason for that is that the evaporated in the gas phase triglycerides exhibit intensive non-covalent attractive dispersion interactions strongly dependent on the alkyl-chain length. For the first time the intensity of the dispersion interactions was quantified for the family of aliphatic linear triglycerides with the chain length from 3 to 18 carbon atoms. The influence of the branching and unsaturation of the alkyl chains to the strength of the non-covalent interactions was also discussed. Full article
(This article belongs to the Special Issue Recent Developments on Thermochemistry and Chemical Thermodynamics by Young Researchers)
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