Journal articles: 'Chemical Thermodynamics'

1

Beda, László. "Chemical thermodynamics." Journal of Thermal Analysis and Calorimetry 44, no. 2 (February 1995): 513–16. http://dx.doi.org/10.1007/bf02636140.

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2

Vincze, Gy, and A. Szasz. "Critical analysis of the thermodynamics of reaction kinetics." JOURNAL OF ADVANCES IN PHYSICS 10, no. 1 (August 5, 2015): 2538–59. http://dx.doi.org/10.24297/jap.v10i1.1340.

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Our objective is to show the weakness of the recent thermodynamics of chemical reactions. We show that such a thermodynamic theory of chemical reactions, which could be similar to the generalized Onsagerâ€™s theory in thermodynamics, is not reality at the moment.Â

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3

Pekař, Miloslav. "Thermodynamics and foundations of mass-action kinetics." Progress in Reaction Kinetics and Mechanism 30, no. 1-2 (June 2005): 3–113. http://dx.doi.org/10.3184/007967405777874868.

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A critical overview is given of phenomenological thermodynamic approaches to reaction rate equations of the type based on the law of mass-action. The review covers treatments based on classical equilibrium and irreversible (linear) thermodynamics, extended irreversible, rational and continuum thermodynamics. Special attention is devoted to affinity, the applications of activities in chemical kinetics and the importance of chemical potential. The review shows that chemical kinetics survives as the touchstone of these various thermody-namic theories. The traditional mass-action law is neither demonstrated nor proved and very often is only introduced post hoc into the framework of a particular thermodynamic theory, except for the case of rational thermodynamics. Most published “thermodynamic'’ kinetic equations are too complicated to find application in practical kinetics and have merely theoretical value. Solely rational thermodynamics can provide, in the specific case of a fluid reacting mixture, tractable rate equations which directly propose a possible reaction mechanism consistent with mass conservation and thermodynamics. It further shows that affinity alone cannot determine the reaction rate and should be supplemented by a quantity provisionally called constitutive affinity. Future research should focus on reaction rates in non-isotropic or non-homogeneous mixtures, the applicability of traditional (equilibrium) expressions relating chemical potential to activity in non-equilibrium states, and on using activities and activity coefficients determined under equilibrium in non-equilibrium states.

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4

Penocchio, Emanuele, Francesco Avanzini, and Massimiliano Esposito. "Information thermodynamics for deterministic chemical reaction networks." Journal of Chemical Physics 157, no. 3 (July 21, 2022): 034110. http://dx.doi.org/10.1063/5.0094849.

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Information thermodynamics relates the rate of change of mutual information between two interacting subsystems to their thermodynamics when the joined system is described by a bipartite stochastic dynamics satisfying local detailed balance. Here, we expand the scope of information thermodynamics to deterministic bipartite chemical reaction networks, namely, composed of two coupled subnetworks sharing species but not reactions. We do so by introducing a meaningful notion of mutual information between different molecular features that we express in terms of deterministic concentrations. This allows us to formulate separate second laws for each subnetwork, which account for their energy and information exchanges, in complete analogy with stochastic systems. We then use our framework to investigate the working mechanisms of a model of chemically driven self-assembly and an experimental light-driven bimolecular motor. We show that both systems are constituted by two coupled subnetworks of chemical reactions. One subnetwork is maintained out of equilibrium by external reservoirs (chemostats or light sources) and powers the other via energy and information flows. In doing so, we clarify that the information flow is precisely the thermodynamic counterpart of an information ratchet mechanism only when no energy flow is involved.

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5

Tanabe, Katsuaki. "A time–energy uncertainty relation in chemical thermodynamics." AIP Advances 12, no. 3 (March 1, 2022): 035224. http://dx.doi.org/10.1063/5.0084251.

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An analogy between the thermodynamic inequalities presented by Nicholson et al. [Nat. Phys. 16, 1211 (2020)] and by Yoshimura and Ito [Phys. Rev. Res. 3, 013175 (2021)] is discussed. As a result, a time–energy uncertainty relation in chemical thermodynamics in terms of Gibbs free energy and chemical potential is derived. It is numerically demonstrated that the uncertainly relation holds in a model system of oscillatory Brusselator reactions. Our result bridges the thermodynamic time–information uncertainty relation and free energy evolution in chemical reactions.

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6

Sandler, S. I. "Unusual chemical thermodynamics." Pure and Applied Chemistry 71, no. 7 (July 30, 1999): 1167–81. http://dx.doi.org/10.1351/pac199971071167.

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7

Sandler, Stanley I. "Unusual chemical thermodynamics." Journal of Chemical Thermodynamics 31, no. 1 (January 1999): 3–25. http://dx.doi.org/10.1006/jcht.1998.0420.

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8

Dymond, J. H. "Basic chemical thermodynamics." Talanta 38, no. 9 (September 1991): 1067–68. http://dx.doi.org/10.1016/0039-9140(91)80329-x.

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9

Kocherginsky, Nikolai, and Martin Gruebele. "Mechanical approach to chemical transport." Proceedings of the National Academy of Sciences 113, no. 40 (September 19, 2016): 11116–21. http://dx.doi.org/10.1073/pnas.1600866113.

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Nonequilibrium thermodynamics describes the rates of transport phenomena with the aid of various thermodynamic forces, but often the phenomenological transport coefficients are not known, and the description is not easily connected with equilibrium relations. We present a simple and intuitive model to address these issues. Our model is based on Lagrangian dynamics for chemical systems with dissipation, so one may think of the model as physicochemical mechanics. Using one main equation, the model allows a systematic derivation of all transport and equilibrium equations, subject to the limitation that heat generated or absorbed in the system must be small for the model to be valid. A table with all major examples of transport and equilibrium processes described using physicochemical mechanics is given. In equilibrium, physicochemical mechanics reduces to standard thermodynamics and the Gibbs–Duhem relation, and we show that the First and Second Laws of thermodynamics are satisfied for our system plus bath model. Out of equilibrium, our model provides relationships between transport coefficients and describes system evolution in the presence of several simultaneous external fields. The model also leads to an extension of the Onsager–Casimir reciprocal relations for properties simultaneously transported by many components.

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10

Sevilla, Francisco J. "Thermodynamics of Low-Dimensional Trapped Fermi Gases." Journal of Thermodynamics 2017 (January 26, 2017): 1–12. http://dx.doi.org/10.1155/2017/3060348.

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The effects of low dimensionality on the thermodynamics of a Fermi gas trapped by isotropic power-law potentials are analyzed. Particular attention is given to different characteristic temperatures that emerge, at low dimensionality, in the thermodynamic functions of state and in the thermodynamic susceptibilities (isothermal compressibility and specific heat). An energy-entropy argument that physically favors the relevance of one of these characteristic temperatures, namely, the nonvanishing temperature at which the chemical potential reaches the Fermi energy value, is presented. Such an argument allows interpreting the nonmonotonic dependence of the chemical potential on temperature, as an indicator of the appearance of a thermodynamic regime, where the equilibrium states of a trapped Fermi gas are characterized by larger fluctuations in energy and particle density as is revealed in the corresponding thermodynamics susceptibilities.

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11

Nuriddinova, Dilfuza, Farkhod Yusupov, and Bobomurod Xursandov. "Study of the properties of sulfonic cation exchanger." E3S Web of Conferences 264 (2021): 01025. http://dx.doi.org/10.1051/e3sconf/202126401025.

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In this research work, we have firstly synthesized the sulfonated polyvinyl chloride cation exchanger based on local raw materials. It was firstly created syntheses methodology of the sulfonated polyvinyl chloride cation exchanger and determined syntheses reaction parameters. It was first investigated that thermodynamics of synthesized the sulfonated polyvinyl chloride cation exchanger: kinetics, sorption isotherms, change of thermodynamics function (Gibbs energy, Entropy, and Entalpy). DFT calculation of synthesized the sulfonated polyvinyl chloride cation exchanger: energy difference between LUMO and HOMO molecular orbitals, Chemical Hardness (η), Electronegativity (χ), Electronic chemical potential (μ), Global electrophilicity Index (ω) and Chemical Softness (s) were firstly computed. We have used thermodynamic methods in doing thermodynamics research. The Frontier molecular orbital method was used on doing DFT calculation by 6-311G (d,p) basis set. These firstly synthesized the sulfonated polyvinyl chloride cation exchanger based on local raw materials is very cheap and effective; it will be used in the chemical industry for softening or cleaning waste water from Ca2+ or Mg2+ ions and different heavy ions. Electrochemical impedance measurements show that the quasi-substitution process has become between Mg+2 and Ca+2 ions and Na+ on the sulfonated polyvinyl chloride cation exchanger in the result of which growth of charge transfer and dielectric constant of mediums. Investigating thermodynamic parameters of this compound will be used for some purposes: a deep understanding of the thermodynamics of sorption processes and using determined thermodynamics in real production processes of water softened materials. DFT calculation investigating gives a deep understanding of how thermodynamics properties can depend on the molecular structure of water softened polymer materials.

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12

Kruglov, Sergey Il’ich. "AdS Black Holes in the Framework of Nonlinear Electrodynamics, Thermodynamics, and Joule–Thomson Expansion." Symmetry 14, no. 8 (August 3, 2022): 1597. http://dx.doi.org/10.3390/sym14081597.

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The thermodynamics and phase transitions of magnetic Anti-de Sitter black holes were studied. We considered extended-phase-space thermodynamics, with the cosmological constant being a thermodynamic pressure and the black hole mass being treated as a chemical enthalpy. The extended-phase-space thermodynamics of black holes mimic the behavior of a Van der Waals liquid. Quantities conjugated to the coupling of nonlinear electrodynamics (NED) and a magnetic charge are obtained. Thermodynamic critical points of phase transitions are investigated. It was demonstrated that the first law of black hole thermodynamics and the generalized Smarr relation hold. The Joule–Thomson adiabatic expansion of NED-AdS black holes is studied. The dependence of inversion temperature on pressure and the minimum of the inversion temperature are found.

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13

Alberty, Robert A. "Components in Chemical Thermodynamics." Journal of Chemical Education 72, no. 9 (September 1995): 820. http://dx.doi.org/10.1021/ed072p820.

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14

Selco, Jodye I. "Chemical Thermodynamics on Mars." Journal of Chemical Education 72, no. 7 (July 1995): 599. http://dx.doi.org/10.1021/ed072p599.

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15

G. Adamson, Martyn. "Chemical thermodynamics of uranium." Journal of Nuclear Materials 200, no. 1 (March 1993): 154–55. http://dx.doi.org/10.1016/0022-3115(93)90021-p.

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16

Saville, G. "Chemical and process thermodynamics." Chemical Engineering Science 40, no. 4 (1985): 683–84. http://dx.doi.org/10.1016/0009-2509(85)80021-x.

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17

Lengyel, S. "Chemical kinetics and thermodynamics." Computers & Mathematics with Applications 17, no. 1-3 (1989): 443–55. http://dx.doi.org/10.1016/0898-1221(89)90173-9.

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18

Avanzini, Francesco, Gianmaria Falasco, and Massimiliano Esposito. "Thermodynamics of chemical waves." Journal of Chemical Physics 151, no. 23 (December 21, 2019): 234103. http://dx.doi.org/10.1063/1.5126528.

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19

Messow, U. "Thermodynamics of Chemical Processes." Zeitschrift für Physikalische Chemie 213, Part_1 (January 1999): 107. http://dx.doi.org/10.1524/zpch.1999.213.part_1.107.

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20

Onken, U. "Applied Chemical Engineering Thermodynamics." Chemie Ingenieur Technik 67, no. 8 (August 1995): 1020. http://dx.doi.org/10.1002/cite.330670821.

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21

Gao, Zeyuan, and Liu Zhao. "Restricted phase space thermodynamics for AdS black holes via holography." Classical and Quantum Gravity 39, no. 7 (March 11, 2022): 075019. http://dx.doi.org/10.1088/1361-6382/ac566c.

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Abstract A new formalism for thermodynamics of AdS black holes called the restricted phase space thermodynamics (RPST) is proposed. The construction is based on top of Visser’s holographic thermodynamics, but with the AdS radius fixed as a constant. Thus the RPST is free of the (P, V) variables but inherits the central charge and chemical potential as a new pair of conjugate thermodynamic variables. In this formalism, the Euler relation and the Gibbs–Duhem equation hold simultaneously with the first law of black hole thermodynamics, which guarantee the appropriate homogeneous behaviors for the black hole mass and the intensive variables. The formalism is checked in detail in the example case of four-dimensional Reissner–Nordström anti-de Sitter black hole in Einstein–Maxwell theory, in which some interesting thermodynamic behaviors are revealed.

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22

Hofman, Tadeusz. "Preface." Pure and Applied Chemistry 81, no. 10 (January 1, 2009): iv. http://dx.doi.org/10.1351/pac20098110iv.

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The 20th International Conference on Chemical Thermodynamics (ICCT 2008) was held in Warsaw, Poland, 3-8 August 2008. It was organized jointly by the Institute of Physical Chemistry of the Polish Academy of Science, both Faculties of Chemistry of the Warsaw University of Technology and the Warsaw University, the Polish Chemical Society, and under the auspices of the International Association of Chemical Thermodynamics (IACT). This conference was significant in a line of traditional meetings gathering biennially chemical thermodynamists from all over the world. Almost 300 participants from 39 countries presented 153 oral presentations and 174 posters, among the former ones 12 plenary and 27 invited lectures were given by distinguished researchers.The culminating event was the Rossini lecture given by Prof. Jürgen Gmehling from the University of Oldenburg in Germany, entitled "Present status and potential of group contribution methods for process development". Prof. Gmehling was awarded the prestigious Frederick D. Rossini Award, which has been given biennially to contemporary chemical thermodynamics for an outstanding contribution.Five 2008 IACT Junior Awards were awarded to young scientists for notable achievements presented during the conference in the form of an oral communication.The conference program was grouped into the following symposia:- Molecular simulations of fluid and statistical thermodynamics- Phase equilibria, supercritical fluids, and separation techniques- Electrolyte solutions and non-electrolyte mixtures including reactive chemical systems- Thermodynamics and properties in the biological, medical, pharmaceutical, agricultural, and food sectors- Nanosystems, nanodevices, and advanced materials- Thermochemistry, calorimetry, and molecular energetics- Ionic liquids- Surface and colloid chemistry- Industrial thermodynamics and databases- Thermodynamics frontiers and education- Modulated and oscillation temperature techniques- Environmental thermodynamicsThis issue of Pure and Applied Chemistry presents 16 papers selected from the plenary and invited lectures delivered at ICCT 2008 with an emphasis on industrial thermodynamics and thermochemistry. We hope that this selection will provide insight into the scientific program of the conference.The 21st International Conference on Chemical Thermodynamics will be held in Tsukuba, Japan, 1-6 August 2010.Tadeusz HofmanConference Editor

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23

Povar, Igor. "The Stoichiometric Uniqueness of Multiple Chemical Reaction Systems in Chemical Thermodynamics, Kinetics and Catalysis – Contributions of Professor Ilie Fishtik." Chemistry Journal of Moldova 15, no. 2 (December 2020): 7–28. http://dx.doi.org/10.19261/cjm.2020.803.

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The main scientific achievements of great significance accomplished by Professor Ilie Fishtik at the University of Iowa and the Worcester Polytechnic Institute, in several fields of the physical chemistry as chemical thermodynamics, kinetics and heterogeneous catalysis were revealed and briefly analysed. Fundamental equations of chemical thermodynamics within the De Donder (stoichiometric) approach were reformulated in terms of a special class of chemical reactions, called as response reactions. Using this approach, the unusual behaviour of chemical equilibrium systems, to interpret the apparent contradictions to Le Chatelier principle and to discover hitherto unnoticed thermodynamic identities, was rationalised. The stabilities of chemical species were formulated in terms of a certain class of stoichiometrically unique chemical reactions and their thermochemical characteristics. A completely new approach for the generation and simplification of kinetic mechanisms for complex reaction systems was developed and applied. Based on a new type of reaction networks, referred to as reaction route graphs, a systematic method of analysis and reduction of a microkinetic mechanism was established and employed.

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24

Battino, Rubin, and Trevor M. Letcher. "Chemical Thermodynamics—A Practical Wonderland." Thermo 2, no. 1 (March 21, 2022): 84–89. http://dx.doi.org/10.3390/thermo2010007.

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Chemical thermodynamics is frequently thought of as being a hard subject and quite abstract. In fact, it is one of the most practical of subjects when you consider that the field of chemical engineering (responsible for endless useful applications) is effectively applied chemical thermodynamics. In this essay, examples of these applications are given, especially with respect to sustainability. The essay first considers the limits of thermodynamics and the constraints put on it in terms of the rigorous definitions of the principal function’s energy, entropy, and Gibbs energy.

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25

Leipnik, R. B., and C. E. M. Pearce. "Thermodynamics, Mnemonic Matrices and Generalized Inverses." ANZIAM Journal 48, no. 4 (April 2007): 493–501. http://dx.doi.org/10.1017/s1446181100003175.

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AbstractWe present an alternative matrix mnemonic for the basic equations of simple thermodynamics. When normalized, this permits an explicit generalized inverse, allowing inversion of the mechanical and chemical thermodynamic equations. As an application, the natural variables S, V, P and T are derived from the four energies E (internal), F (free), G (Gibbs) and H (enthalpy).

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26

Ahmed, Jamil. "An Overview of Black Hole Chemistry." Physical Sciences Forum 2, no. 1 (February 22, 2021): 11. http://dx.doi.org/10.3390/ecu2021-09308.

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The understanding the thermodynamic behavior of black holes using the concepts of chemistry will be discussed here. To establish the complete correspondence between the thermodynamics of an ordinary system and the thermodynamics of black holes, recent proposals suggest the identification of the mass of a black hole as the chemical enthalpy of an ordinary thermodynamic system. Similarly, the negative cosmological constant, surface gravity, and horizon area of a black hole is identified as the pressure, temperature, and entropy of a thermodynamic system. Consequently, black holes behave analogously to a variety of everyday phenomena. This allows an understanding of black holes using concepts of chemistry such as Van der Waals fluids, phase transitions, etc.

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27

Seitz, David E., and Homer L. Pearce. "Clinical Oncology and Chemical Thermodynamics." Cancer Investigation 8, no. 2 (January 1990): 233–35. http://dx.doi.org/10.3109/07357909009017569.

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28

Baveye, Philippe. "Chemical Thermodynamics for Earth Scientists." Journal of Environmental Quality 24, no. 1 (January 1995): 198–99. http://dx.doi.org/10.2134/jeq1995.00472425002400010028x.

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29

Sabatini, A., M. Borsari, L. M. Raff, W. R. Cannon, and S. Iotti. "Chemical and Biochemical Thermodynamics Reunification." Chemistry International 41, no. 2 (April 1, 2019): 34. http://dx.doi.org/10.1515/ci-2019-0211.

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30

Wagner, Katharina, and Karl Heinz Hoffmann. "Chemical reactions in endoreversible thermodynamics." European Journal of Physics 37, no. 1 (October 28, 2015): 015101. http://dx.doi.org/10.1088/0143-0807/37/1/015101.

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31

Samuilov, E. V. "Chemical thermodynamics and indifferent states." Thermal Engineering 59, no. 13 (December 2012): 984–93. http://dx.doi.org/10.1134/s0040601512130083.

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32

Fishtik, Ilie, István Nagypál, and Ivan Gutman. "Unnoticed identities in chemical thermodynamics." J. Chem. Soc., Faraday Trans. 91, no. 9 (1995): 1325–31. http://dx.doi.org/10.1039/ft9959101325.

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33

Fishtik, Ilie, Ivan Gutman, and István Nagypál. "Response reactions in chemical thermodynamics." J. Chem. Soc., Faraday Trans. 92, no. 19 (1996): 3525–32. http://dx.doi.org/10.1039/ft9969203525.

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34

SPARKS, DONALD L., and Z. Z. ZHANG. "Chemical Thermodynamics for Earth Scientist." Soil Science 159, no. 4 (April 1995): 279–80. http://dx.doi.org/10.1097/00010694-199504000-00008.

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35

Araujo, Roger. "Potential Functions in Chemical Thermodynamics." Journal of Chemical Education 75, no. 11 (November 1998): 1490. http://dx.doi.org/10.1021/ed075p1490.

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36

Garfinkle, M. "Natural path in chemical thermodynamics." Journal of Physical Chemistry 93, no. 5 (March 1989): 2158–64. http://dx.doi.org/10.1021/j100342a087.

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37

Chatillon, Christian, Ioana Nuta, Fatima-Zhara Roki, and Evelyne Fischer. "Chemical thermodynamics of RuO2(s)." Journal of Nuclear Materials 509 (October 2018): 742–51. http://dx.doi.org/10.1016/j.jnucmat.2018.05.060.

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38

Alberty, Robert A. "Legendre Transforms in Chemical Thermodynamics." Chemical Reviews 94, no. 6 (September 1994): 1457–82. http://dx.doi.org/10.1021/cr00030a001.

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39

Hepler, Loren G. "Chemical thermodynamics and theoretical models." Thermochimica Acta 100, no. 1 (May 1986): 171–85. http://dx.doi.org/10.1016/0040-6031(86)87056-3.

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40

Malyshev, V. A. "Microscopic Models for Chemical Thermodynamics." Journal of Statistical Physics 119, no. 5-6 (June 2005): 997–1026. http://dx.doi.org/10.1007/s10955-005-4408-z.

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41

Turner, J. C. R. "Introduction to chemical enginnering thermodynamics." Chemical Engineering Science 43, no. 5 (1988): 1219. http://dx.doi.org/10.1016/0009-2509(88)85090-5.

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42

Lin, Shiang-Tai, Chieh-Ming Hsieh, and Ming-Tsung Lee. "Solvation and chemical engineering thermodynamics." Journal of the Chinese Institute of Chemical Engineers 38, no. 5-6 (September 2007): 467–76. http://dx.doi.org/10.1016/j.jcice.2007.08.002.

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43

De Vos, Alexis. "Endoreversible thermodynamics and chemical reactions." Journal of Physical Chemistry 95, no. 11 (May 1991): 4534–40. http://dx.doi.org/10.1021/j100164a065.

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44

Alberty, Robert A. "Legendre transforms in chemical thermodynamics." Pure and Applied Chemistry 69, no. 11 (January 1, 1997): 2221–30. http://dx.doi.org/10.1351/pac199769112221.

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45

Ott, J. Bevan, J. Boerio-Goates, and DE Beasley. "Chemical Thermodynamics: Principles and Applications." Applied Mechanics Reviews 54, no. 6 (2001): B110. http://dx.doi.org/10.1115/1.1421125.

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46

Westrum, E. F. "Schottky contributions in chemical thermodynamics." Journal of thermal analysis 30, no. 6 (November 1985): 1209–15. http://dx.doi.org/10.1007/bf01914288.

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47

Currie, K. L. "Chemical thermodynamics for earth scientists." Earth-Science Reviews 36, no. 3-4 (August 1994): 260–61. http://dx.doi.org/10.1016/0012-8252(94)90073-6.

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48

Fritz, Steven J. "Chemical thermodynamics for earth scientists." Geochimica et Cosmochimica Acta 58, no. 16 (August 1994): 3541–42. http://dx.doi.org/10.1016/0016-7037(94)90108-2.

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49

Gutman, I., I. Fishtik, and N. Nagyp�l. "An identity in chemical thermodynamics." Journal of Mathematical Chemistry 16, no. 1 (1994): 229–44. http://dx.doi.org/10.1007/bf01169210.

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50

Alberty, Robert A. "Legendre transforms in chemical thermodynamics." Journal of Chemical Thermodynamics 29, no. 5 (May 1997): 501–16. http://dx.doi.org/10.1006/jcht.1996.0171.

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Journal articles on the topic 'Chemical Thermodynamics'

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