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Selected Papers from XLII National Conference on Calorimetry, Thermal Analysis and Applied Thermodynamics

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A special issue of Entropy (ISSN 1099-4300). This special issue belongs to the section "Thermodynamics".

Deadline for manuscript submissions: closed (30 June 2022) | Viewed by 15100

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Prof. Dr. Stefano Vecchio Ciprioti

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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. Marilena Tolazzi

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Dipartimento Politecnico, Laboratori di Chimica dell’Università di Udine, Via Cotonificio 108, 33100 Udine, Italy
Interests: solution thermodynamics; calorimetry; complex formation; non-aqueous media; solvation; coordination compounds

Special Issue Information

Dear Colleagues,

Thermal analysis and calorimetry are versatile techniques representing powerful tools to investigate processes and characterize solid and liquid substances along with complementary methods (i.e., X-ray diffraction, Scanning Electron Microscopy, Fourier Transform Infrared Spectroscopy, etc.).

Owing to the increasing spread of COVID-19 worldwide and to the severe restrictions imposed by the Italian as well as by other governments, the “XLII National Conference on Calorimetry, Thermal Analysis and Applied Thermodynamics” will be jointly organized by the Italian Association of Thermal Analysis and Calorimetry (A.I.C.A.T.) and the Interdivisional Group of Calorimetry and Thermal Analysis (G. I.C.A.T.) of the Italian Chemical Society as a virtual event on January 27–28, 2021.

This conference has a long tradition in providing a unique stage to young and distinguished researchers coming from different regions of Italy and from countries abroad to present the most recent developments and share ideas on a plethora of topics in the fields of thermal analysis and calorimetry, ranging from food to biocalorimetry, lifetime prediction of materials, cultural heritage, life science, polymer science, and pharmaceuticals. The official language is English, while the scientific common background is classical and applied thermodynamics, as suggested by the title of the conference.

This Special Issue aims at collecting a valuable selection of contributions, favoring (but not limited to) those who provide significant insights into physico-chemical processes and a corresponding description of reaction mechanisms, the characterization of all kinds of phase transitions, innovative routes for thermal energy storage and energy conversion, and original approaches focused on applied thermodynamics with particular reference to the entropic contribution, following a classical and/or applied thermodynamic approach.

Prof. Dr. Stefano Vecchio Ciprioti
Prof. Dr. Marilena Tolazzi
Guest Editors

Manuscript Submission Information

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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 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

Thermodynamic processes and properties
Classical thermodynamics
Thermodynamics of energy conversion processes
Thermal energy storage
Energy conversion
Theoretical and applied thermodynamics for engineers
Solution thermodynamics.

Published Papers (7 papers)

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Research

13 pages, 1916 KiB

Open AccessArticle

Entropy and Enthalpy Effects on Metal Complex Formation in Non-Aqueous Solvents: The Case of Silver(I) and Monoamines

by Andrea Melchior, Martina Sanadar, Rosita Cappai and Marilena Tolazzi

Entropy 2022, 24(9), 1253; https://0-doi-org.brum.beds.ac.uk/10.3390/e24091253 - 06 Sep 2022

Cited by 2 | Viewed by 1716

Abstract

Access to the enthalpy and entropy of the formation of metal complexes in solution is essential for understanding the factors determining their thermodynamic stability and speciation. As a case study, in this report we systematically examine the complexation of silver(I) in acetonitrile (AN) with the following monoamines: n-propylamine (n-pr), n-butylamine (n-but), hexylamine (hexyl), diethylamine (di-et), dipropylamine (di-pr), dibutylamine (di-but), triethylamine (tri-et) and tripropylamine (tri-pr). The study shows that the complex stabilities are quite independent of the length of the substitution chain on the N atom and demonstrates that, in general, the overall enthalpy terms associated with the complex formation are strongly exothermic, whereas the entropy values oppose the complex formations. In addition, we examined the similarity of the formation constants of AgL complexes of the primary monoamines in AN, dimethylsulfoxide (DMSO) and water, which were unexpected on the basis of the difference between the donor properties of solvents. Full article

(This article belongs to the Special Issue Selected Papers from XLII National Conference on Calorimetry, Thermal Analysis and Applied Thermodynamics)

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11 pages, 3705 KiB

Open AccessArticle

Specific Heat Capacity and Thermal Conductivity Measurements of PLA-Based 3D-Printed Parts with Milled Carbon Fiber Reinforcement

by Ignazio Blanco, Gianluca Cicala, Giuseppe Recca and Claudio Tosto

Entropy 2022, 24(5), 654; https://0-doi-org.brum.beds.ac.uk/10.3390/e24050654 - 06 May 2022

Cited by 18 | Viewed by 3656

Abstract

This research focuses on the thermal characterization of 3D-printed parts obtained via fused filament fabrication (FFF) technology, which uses a poly(lactic acid) (PLA)-based filament filled with milled carbon fibers (MCF) from pyrolysis at different percentages by weight (10, 20, 30 wt%). Differential scanning calorimetry (DSC) and thermal conductivity measurements were used to evaluate the thermal characteristics, morphological features, and heat transport behavior of the printed specimens. The experimental results showed that the addition of MCF to the PLA matrix improved the conductive properties. Scanning electron microscopy (SEM) micrographs were used to obtain further information about the porosity of the systems. Full article

(This article belongs to the Special Issue Selected Papers from XLII National Conference on Calorimetry, Thermal Analysis and Applied Thermodynamics)

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14 pages, 858 KiB

Open AccessArticle

Sublimation Study of Six 5-Substituted-1,10-Phenanthrolines by Knudsen Effusion Mass Loss and Solution Calorimetry

by Bruno Brunetti, Andrea Ciccioli, Andrea Lapi, Aleksey V. Buzyurov, Ruslan N. Nagrimanov, Mikhail A. Varfolomeev and Stefano Vecchio Ciprioti

Entropy 2022, 24(2), 192; https://0-doi-org.brum.beds.ac.uk/10.3390/e24020192 - 27 Jan 2022

Cited by 2 | Viewed by 1755

Abstract

The vapor pressures of six solid 5-X-1,10-phenanthrolines (where X = Cl, CH₃, CN, OCH₃, NH₂, NO₂) were determined in suitable temperature ranges by Knudsen Effusion Mass Loss (KEML). From the temperature dependencies of vapor pressure, the molar sublimation enthalpies, Δ_cr^gH_m⁰(⟨T⟩), were calculated at the corresponding average ⟨T⟩ of the explored temperature ranges. Since to the best of our knowledge no thermochemical data seem to be available in the literature regarding these compounds, the Δ_cr^gH_m⁰(⟨T⟩) values obtained by KEML experiments were adjusted to 298.15 K using a well known empirical procedure reported in the literature. The standard (p⁰ = 0.1 MPa) molar sublimation enthalpies, Δ_cr^gH_m⁰(298.15 K), were compared with those determined using a recently proposed solution calorimetry approach, which was validated using a remarkable amount of thermochemical data of molecular compounds. For this purpose, solution enthalpies at infinite dilution of the studied 5-chloro and 5-methylphenantrolines in benzene were measured at 298.15 K. Good agreement was found between the values derived by the two different approaches, and final mean values of Δ_cr^gH_m⁰(298.15 K) were recommended. Finally, the standard molar entropies and Gibbs energies of sublimation were also derived at T = 298.15 K. The volatilities of the six compounds were found to vary over a range of three orders of magnitude in the explored temperature range. The large difference in volatility was analyzed in the light of enthalpies and entropies of sublimation. The latter was tentatively put in relation to the rotational contribution of the substituent group on the phenanthroline unit. Full article

(This article belongs to the Special Issue Selected Papers from XLII National Conference on Calorimetry, Thermal Analysis and Applied Thermodynamics)

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11 pages, 1323 KiB

Open AccessArticle

Thermodynamic Study of Formamidinium Lead Iodide (CH₅N₂PbI₃) from 5 to 357 K

by Andrea Ciccioli, Alessandro Latini, Alessio Luongo, Natalia N. Smirnova, Alexey V. Markin and Stefano Vecchio Ciprioti

Entropy 2022, 24(2), 145; https://0-doi-org.brum.beds.ac.uk/10.3390/e24020145 - 18 Jan 2022

Cited by 1 | Viewed by 1670

Abstract

In the present study, the molar heat capacity of solid formamidinium lead iodide (CH₅N₂PbI₃) was measured over the temperature range from 5 to 357 K using a precise automated adiabatic calorimeter. In the above temperature interval, three distinct phase transitions were found in ranges from 49 to 56 K, from 110 to 178 K, and from 264 to 277 K. The standard thermodynamic functions of the studied perovskite, namely the heat capacity C°_p(T), enthalpy [H⁰(T) − H⁰(0)], entropy S⁰(T), and [G°(T) − H°(0)]/T, were calculated for the temperature range from 0 to 345 K based on the experimental data. Herein, the results are discussed and compared with those available in the literature as measured by nonclassical methods. Full article

(This article belongs to the Special Issue Selected Papers from XLII National Conference on Calorimetry, Thermal Analysis and Applied Thermodynamics)

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14 pages, 4242 KiB

Open AccessArticle

Entropy Effects in Intermolecular Associations of Crown-Ethers and Cyclodextrins with Amino Acids in Aqueous and in Non-Aqueous Media

by Tatyana Usacheva, Irina Terekhova, Diana Alister, Mikhail Agafonov, Natalya Kuranova, Dmitry Tyurin and Valentin Sharnin

Entropy 2022, 24(1), 24; https://0-doi-org.brum.beds.ac.uk/10.3390/e24010024 - 24 Dec 2021

Cited by 4 | Viewed by 2374

Abstract

The analysis of the ratios of entropy and enthalpy characteristics and their contributions to the change in the Gibbs energy of intermolecular interactions of crown ethers and cyclodextrins with amino acids is carried out. Two different types of macrocycles were chosen for examination: crown ethers with a hydrophilic interior and cyclodextrins with a hydrophobic inner cavity and a hydrophilic exterior. The thermodynamics of complex formation of crown ethers and cyclodextrins with amino acids in water and aqueous-organic solvents of variable composition was examined. The contributions of the entropy solvation of complexes of 18-crown-6 with glycine, alanine, phenylalanine to the change in the entropy of complexation in water-ethanol and water-dimethyl sulfoxide solvents was calculated and analyzed. It was found that the ratios of the entropy and enthalpy solvation of the reagents for these systems have similar trends when moving from water to aqueous-organic mixtures. The relationship between the thermodynamic characteristics and structural features of the complexation processes between cyclodextrins and amino acids has been established. The thermodynamic enthalpy–entropy compensation effect was revealed, and its features for complexation of cyclodextrins and 18-crown-6 were considered. It was concluded that, based on the thermodynamic parameters of molecular complexation, one could judge the mode of the formation of complexes, the main driving forces of the interactions, and the degree of desolvation. Full article

(This article belongs to the Special Issue Selected Papers from XLII National Conference on Calorimetry, Thermal Analysis and Applied Thermodynamics)

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12 pages, 2793 KiB

Open AccessArticle

Thermodynamic Properties of the First-Generation Hybrid Dendrimer with “Carbosilane Core/Phenylene Shell” Structure

by Semen S. Sologubov, Alexey V. Markin, Natalia N. Smirnova, Elena S. Chamkina, Irina Yu. Krasnova, Sergey A. Milenin, Olga A. Serenko, Zinaida B. Shifrina and Aziz M. Muzafarov

Entropy 2021, 23(12), 1557; https://0-doi-org.brum.beds.ac.uk/10.3390/e23121557 - 23 Nov 2021

Cited by 1 | Viewed by 1367

Abstract

The molar heat capacity of the first-generation hybrid dendrimer with a “carbosilane core/phenylene shell” structure was measured for the first time in the temperature range T = 6–600 K using a precise adiabatic vacuum calorimeter and DSC. In the above temperature interval, the glass transition of the studied compound was observed, and its thermodynamic characteristics were determined. The standard thermodynamic functions (the enthalpy, the entropy, and the Gibbs energy) of the hybrid dendrimer were calculated over the range from T = 0 to 600 K using the experimentally determined heat capacity. The standard entropy of formation of the investigated dendrimer was evaluated at T = 298.15 K. The obtained thermodynamic properties of the studied hybrid dendrimer were compared and discussed with the literature data for some of the first-generation organosilicon and pyridylphenylene dendrimers. Full article

(This article belongs to the Special Issue Selected Papers from XLII National Conference on Calorimetry, Thermal Analysis and Applied Thermodynamics)

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17 pages, 5276 KiB

Open AccessArticle

The Composition of Saturated Vapor over 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Multi-Technique Study of the Vaporization Process

by Anatoliy M. Dunaev, Vladimir B. Motalov and Lev S. Kudin

Entropy 2021, 23(11), 1478; https://0-doi-org.brum.beds.ac.uk/10.3390/e23111478 - 08 Nov 2021

Cited by 5 | Viewed by 1509

Abstract

A multi-technique approach based on Knudsen effusion mass spectrometry, gas phase chromatography, mass spectrometry, NMR and IR spectroscopy, thermal analysis, and quantum-chemical calculations was used to study the evaporation of 1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF₄). The saturated vapor over BMImBF₄ was shown to have a complex composition which consisted of the neutral ion pairs (NIPs) [BMIm⁺][BF₄⁻], imidazole-2-ylidene C₈N₂H₁₄BF₃, 1-methylimidazole C₄N₂H₆, 1-butene C₄H₈, hydrogen fluoride HF, and boron trifluoride BF₃. The vapor composition strongly depends on the evaporation conditions, shifting from congruent evaporation in the form of NIP under Langmuir conditions (open surface) to primary evaporation in the form of decomposition products under equilibrium conditions (Knudsen cell). Decomposition into imidazole-2-ylidene and HF is preferred. The vapor composition of BMImBF₄ is temperature-depended as well: the fraction ratio of [BMIm⁺][BF₄⁻] NIPs to decomposition products decreased by about a factor of three in the temperature range from 450 K to 510 K. Full article

(This article belongs to the Special Issue Selected Papers from XLII National Conference on Calorimetry, Thermal Analysis and Applied Thermodynamics)

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