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Thermodynamics, Structure, and Intermolecular Interactions in Solutions—Second Edition

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".

Deadline for manuscript submissions: closed (31 December 2023) | Viewed by 3668

Special Issue Editors

Tianjin Key Laboratory of Brine Chemical Engineering and Ecological Utilization of Resources, Tianjin Engineering Center of Marine Chemical Engineering & Technology, College of Chemical Engineering and Materials Science, Tianjin University of Science and Technology, Tianjin 300457, China
Interests: crystallization thermodynamics; crystallization kinetics, involved nucleation, and crystal growth kinetics; functional crystal materials; self-assembly materials; chiral separation (typically by using crystallization technology); brine chemical engineering and the ecological utilization of resources; crystal engineering (polymorphism, co-crystal, salt, solvates); separation and purification technology
Special Issues, Collections and Topics in MDPI journals
School of Chemical Engineering, Zhengzhou University, Zhengzhou 450001, China
Interests: solution theory; solution chemical thermodynamics; phase equilibrium; thermochemistry; thermal analysis, statistical thermodynamics and molecular simulation; thermodynamic experiment
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The key issues of structural evolution and intermolecular interactions in molecular thermodynamics, statistical thermodynamics, and molecular self-assembly play important roles in a range of multidisciplinary fields, such as chemistry, materials science, crystal engineering, pharmaceutical science, environmental science, and earth science. Robust discussion on the evolution of molecular structures and intermolecular interactions in solution has already resulted in vast leaps in science and technology, and will undoubtedly lead to further insights and open new horizons in relation to molecular thermodynamics and phase transition mechanisms and kinetics.

Therefore, we encourage scientists to submit papers describing fundamental studies devoted to thermodynamics and phase transitions at the molecular level. The manuscripts might relate to, but are by no means limited to, the following topics:

  1. Experimental, theoretical, or combined perspective views on molecular thermodynamics or molecular simulation in organic, inorganic, or physical chemistry;
  2. The exploitation of different experimental techniques (NMR, IR, Raman, UV-vis spectroscopy, etc.) for the characterization of intermolecular interactions or solution species;
  3. Physical interpretations or molecular insights into the molecular self-assembly process.

For this Special Issue, we invite scientists working in different experimental and theoretical fields to contribute their work in order to achieve deeper insight into the issues of structural evolution, intermolecular interactions in molecular thermodynamics, statistical thermodynamics, and molecular self-assembly processes.

Dr. Shijie Xu
Dr. Tao Li
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. Molecules 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

  • thermodynamics
  • intermolecular interactions
  • statistical thermodynamics
  • molecular simulation
  • physical chemistry
  • phase transition
  • solution species
  • thermodynamic descriptor
  • thermodynamic model
  • molecular self-assembly

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Related Special Issue

Published Papers (2 papers)

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Research

15 pages, 5309 KiB  
Article
An Investigation into the Stability Source of Collagen Fiber Modified Using Cr(III): An Adsorption Isotherm Study
by Jiheng Li, Wenjun Long, Liangqiong Peng, Lijun Guo and Wenhua Zhang
Molecules 2024, 29(2), 300; https://doi.org/10.3390/molecules29020300 - 6 Jan 2024
Cited by 8 | Viewed by 1380
Abstract
The enhanced hydrothermal stability of leather, imparted by little Cr(III), has traditionally been ascribed to strong coordinate bonds. However, this explanation falls short when considering that the heat-induced shrinking of collagen fiber is predominantly driven by rupturing weak H-bonds. This study explored the [...] Read more.
The enhanced hydrothermal stability of leather, imparted by little Cr(III), has traditionally been ascribed to strong coordinate bonds. However, this explanation falls short when considering that the heat-induced shrinking of collagen fiber is predominantly driven by rupturing weak H-bonds. This study explored the stability source via adsorption thermodynamics using collagen fiber as an adsorbent. Eleven isotherm models were fitted with the equilibrium dataset. Nine of these models aptly described Cr(III) adsorption based on the physical interpretations of model parameters and error functions. The adsorption equilibrium constants from six models could be transformed into dimensionless thermodynamic equilibrium constants. Based on the higher R2 of the van’t Hoff equation, thermodynamic parameters (∆G°, ∆H°, ∆S°) from the Fritz–Shluender isotherm model revealed that the adsorption process typifies endothermic and spontaneous chemisorption, emphasizing entropy increase as the primary driver of Cr(III) bonding with collagen. Thus, the release of bound H2O from collagen is identified as the stability source of collagen fiber modified by Cr(III). This research not only clarifies the selection and applicability of the isotherm model in a specific aqueous system but also identifies entropy, rather than enthalpy, as the principal stability source of Cr-leather. These insights facilitate the development of novel methods to obtain stable collagen-based material. Full article
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17 pages, 5989 KiB  
Article
Effects of Different Flotation Agents on the Nucleation and Growth of Potassium Chloride
by Guangle Wang, Xiao Bian, Zeren Shang, Weibing Dong, Yi Zhang and Songgu Wu
Molecules 2023, 28(23), 7923; https://doi.org/10.3390/molecules28237923 - 4 Dec 2023
Cited by 3 | Viewed by 1809
Abstract
The flotation agent is an important collector in the production of potassium chloride and is brought into the crystallization stage with the reflux of the mother liquor. Octadecylamine Hydrochloride (ODA), 1-Dodecylamine Hydrochloride (DAH) and Sodium 1-dodecanesulfonate (SDS) were selected to study their effect [...] Read more.
The flotation agent is an important collector in the production of potassium chloride and is brought into the crystallization stage with the reflux of the mother liquor. Octadecylamine Hydrochloride (ODA), 1-Dodecylamine Hydrochloride (DAH) and Sodium 1-dodecanesulfonate (SDS) were selected to study their effect on the nucleation of potassium chloride. Focused Beam Reflectance Measurement was used to collect the nucleation-induced periods of KCl in the presence of flotation agents at different supersaturations. Then, empirical equations, classical nucleation theory and growth mechanism equations were employed for data analysis. It was found that the presence of flotation agents increased the nucleation sequence m, and m(ODA) > m(SDS) > m(DAH) > m(H2O). In addition, the interfacial energy data obtained using classical nucleation theory suggest that the flotation agents used in our paper promoted the homogeneous nucleation of KCl (reduced from 5.3934 mJ·m−2 to 5.1434 mJ·m−2) and inhibited the heterogeneous nucleation of KCl (increased from 2.8054 mJ·m−2 to 3.6004 mJ·m−2). This investigation also revealed that the growth of potassium chloride was consistent with the 2D nucleation-mediated growth mechanism, and the addition of flotation agent did not change the growth mechanism of potassium chloride. Finally, the particle size distribution results were exactly consistent with the order of nucleation order m. The study of nucleation kinetics and growth mechanisms of different flotation agents on potassium chloride can provide guidance for optimizing the production process of potassium chloride and developing new flotation agents. Full article
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