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Polymers
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Thermodynamics of Polymers: Fundamentals and Applications
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Thermodynamics of Polymers: Fundamentals and Applications

A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Analysis and Characterization".

Deadline for manuscript submissions: closed (15 June 2024) | Viewed by 7208

Special Issue Editor

Dr. Costas Tsioptsias

E-Mail Website
Guest Editor
Department of Chemical Engineering, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece
Interests: thermal analysis; chemical thermodynamics; polymers; gels; porous materials; fibers; composites; supercritical fluids; pharmaceutics; wastewater treatment
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Upon acceptance of the invitation made by the Editor of Polymers (MDPI), I agreed to serve as Guest Editor for a Special Issue entitled “Thermodynamics of Polymers: Fundamentals and Applications”. The following quote of Albert Einstein about thermodynamics may render unnecessary any attempt to highlight the significance of thermodynamics:

“It is the only general physical theory of which I am convinced that, within its regime of applicability, it will never be overturned”.

The aim of this Special Issue is to provide a forum for discussing issues regarding the fundamentals and applications of the field of polymer thermodynamics. We particularly welcome the submission of ideas and discussions in the broad area of thermodynamics regarding unsolved and controversial issues of polymer science.

Topics of interest include but are not limited to:

  • Thermal analysis and stability of polymers and polymer composites;
  • Miscibility of polymer blends;
  • Polymerization thermodynamics;
  • Modelling/simulation of solubility, thermal and other polymer properties, etc.;
  • Physical aging and enthalpy relaxation;
  • New experimental thermodynamic data (e.g., thermal transition temperatures, heats of fusion and crystallization, specific heat capacities, solubility data of polymers in ionic liquids and other solvents, data of sorption of liquid/gas/supercritical fluid/ions from polymers);
  • New methods for measuring thermodynamic data in polymer systems;
  • Non-equilibrium thermodynamics;
  • Thermodynamics of mechanical fracture;
  • Reviews on any of the above.

Papers dealing with applications related to thermodynamic data and analysis are welcome, including:

  • High-pressure fluid sorption or phase inversion in polymer-related systems and their application for the development of porous materials;
  • Gas sorption by polymers, selectivity and application for gas separation;
  • Ion sorption from polymers and application for water and wastewater treatment;
  • Novel materials based on polymer blending (miscible, multi-phase, etc.);
  • Interfacial phenomena and related applications (e.g., superhydrophobicity);
  • Reviews on any of the above.

We also welcome papers that focus on more specialized issues, such as:

  • Endothermic peaks in the non-reversing signal of modulated differential scanning calorimetry (DSC);
  • Endothermic peaks fully or partially overlapping with glass transition (e.g., enthalpy recovery peaks);
  • Glass transition depression;
  • Retrograde vitrification;
  • Heterogeneous mixtures of compatible polymers;
  • Secondary relaxations.

I invite you to submit a manuscript (original research article, communication, or review) to this Special Issue.

I look forward to receiving your contributions.

Dr. Costas Tsioptsias
Guest Editor

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. Polymers is an international peer-reviewed open access semimonthly 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 2700 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

  • polymer
  • thermodynamics
  • modelling
  • thermal behavior
  • solubility
  • sorption
  • polymer blends and composites

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (3 papers)

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Research

19 pages, 4832 KiB  
Article
Material Compatibility in 4D Printing: Identifying the Optimal Combination for Programmable Multi-Material Structures
by Matej Pivar, Urška Vrabič-Brodnjak, Mirjam Leskovšek, Diana Gregor-Svetec and Deja Muck
Polymers 2024, 16(15), 2138; https://doi.org/10.3390/polym16152138 - 27 Jul 2024
Cited by 5 | Viewed by 1531
Abstract
This study identifies the optimal combination of active and passive thermoplastic materials for producing multi-material programmable 3D structures. These structures can undergo shape changes with varying radii of curvature over time when exposed to hot water. The research focuses on examining the thermal, [...] Read more.
This study identifies the optimal combination of active and passive thermoplastic materials for producing multi-material programmable 3D structures. These structures can undergo shape changes with varying radii of curvature over time when exposed to hot water. The research focuses on examining the thermal, thermomechanical, and mechanical properties of active (PLA) and passive (PRO-PLA, ABS, and TPU) materials. It also includes the experimental determination of the radius of curvature of the programmed 3D structures. The pairing of active PLA with passive PRO-PLA was found to be the most effective for creating complex programmable 3D structures capable of two-sided transformation. This efficacy is attributed to the adequate apparent shear strength, significant differences in thermomechanical shrinkage between the two materials, identical printing parameters for both materials, and the lowest bending storage modulus of PRO-PLA among the passive materials within the activation temperature range. Multi-material 3D printing has also proven to be a suitable method for producing programmable 3D structures for practical applications such as phone stands, phone cases, door hangers, etc. It facilitates the programming of the active material and ensures the dimensional stability of the passive components of programmable 3D structures during thermal activation. Full article
(This article belongs to the Special Issue Thermodynamics of Polymers: Fundamentals and Applications)
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16 pages, 4668 KiB  
Article
Effects of Chemical Composition and Cross-Linking Degree on the Thermo-Mechanical Properties of Bio-Based Thermosetting Resins: A Molecular Dynamics Simulation Study
by Qiuyu Tang, Jie Jiang, Jinjin Li, Ling Zhao and Zhenhao Xi
Polymers 2024, 16(9), 1229; https://doi.org/10.3390/polym16091229 - 28 Apr 2024
Cited by 3 | Viewed by 1753
Abstract
Bio-based epoxy resins have received significant attention in terms of concerns regarding carbon emission. Epoxidized soybean oil (ESO) derived from sustainable feedstock has been widely used to blend with traditional diglycidyl ether of bisphenol-A (DGEBA) to replace some of the petroleum-based components. In [...] Read more.
Bio-based epoxy resins have received significant attention in terms of concerns regarding carbon emission. Epoxidized soybean oil (ESO) derived from sustainable feedstock has been widely used to blend with traditional diglycidyl ether of bisphenol-A (DGEBA) to replace some of the petroleum-based components. In this work, molecular dynamics (MD) simulations were applied to track the network formation and predict the performance of methyl hexahydrophthalic anhydride (MHHPA)-cured ESO/DGEBA blend systems. The effects of ESO content and cross-linking degree on the mass density, volumetric shrinkage, glass transition temperature (Tg), coefficient of thermal expansion (CTE), Young’s modulus, yield strength, and Poisson’s ratio of the epoxy resin were systematically investigated. The results show that systems with high ESO content achieve gelation at low cross-linking degree. The Tg value, Young’s modulus, and yield strength increase with the increase in cross-linking degree, but the CTE at the glassy state and Poisson’s ratio decrease. The comparison results between the simulated and experimental data demonstrated that the MD simulations can accurately predict the thermal and mechanical properties of ESO-based thermosets. This study gains insight into the variation in thermo-mechanical properties of anhydride-cured ESO/DGEBA-based epoxy resins during the cross-linking process and provides a rational strategy for optimizing bio-based epoxy resins. Full article
(This article belongs to the Special Issue Thermodynamics of Polymers: Fundamentals and Applications)
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27 pages, 3956 KiB  
Article
Thermochemical Transition in Non-Hydrogen-Bonded Polymers and Theory of Latent Decomposition
by Costas Tsioptsias
Polymers 2022, 14(23), 5054; https://doi.org/10.3390/polym14235054 - 22 Nov 2022
Cited by 6 | Viewed by 2252
Abstract
Although thermosets and various biopolymers cannot be softened without being decomposed, the vast majority of thermoplastics are believed to exhibit thermal transitions solely related to physical alterations of their structure—a behavior typical of low molecular weight substances. In this study, Differential Scanning Calorimetry [...] Read more.
Although thermosets and various biopolymers cannot be softened without being decomposed, the vast majority of thermoplastics are believed to exhibit thermal transitions solely related to physical alterations of their structure—a behavior typical of low molecular weight substances. In this study, Differential Scanning Calorimetry (DSC), Fourier Transform Infrared Spectroscopy (FTIR) and Thermogravimetry (TGA) were used to study the softening of four common non-hydrogen-bonded thermoplastic polymers (polypropylene, polypropylene-grafted-maleic anhydride, poly(vinyl chloride) and polystyrene) along with a hydrogen-bonded polymer as a reference, namely, poly(vinyl alcohol). It is shown that the softening of these polymers is a thermochemical transition. Based on fundamental concepts of statistical thermodynamics, it is proposed that the thermal transition behavior of all kinds of polymers is qualitatively the same: polymers cannot be softened without being decomposed (in resemblance with their incapability to boil) and the only difference between the various types of polymers is quantitative and lies in the extent of decomposition during softening. Decomposition seems to reach a local maximum during softening; however, it is predicted that polymers constantly decompose even at room temperature and, by heating, (sensible) decomposition is not initiated but simply accelerated. The term “latent decomposition” is proposed to describe this concept. Full article
(This article belongs to the Special Issue Thermodynamics of Polymers: Fundamentals and Applications)
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