Relevant bibliographies by topics / Thermodynamic Equilibrium Calculations

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Thermodynamic Equilibrium Calculations'

Author: Grafiati
Published: 25 May 2024

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Journal articles on the topic "Thermodynamic Equilibrium Calculations"

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Zhang, Tao, and Shuyu Sun. "Thermodynamics-Informed Neural Network (TINN) for Phase Equilibrium Calculations Considering Capillary Pressure." Energies 14, no. 22 (2021): 7724. http://dx.doi.org/10.3390/en14227724.

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The thermodynamic properties of fluid mixtures play a crucial role in designing physically meaningful models and robust algorithms for simulating multi-component multi-phase flow in subsurface, which is needed for many subsurface applications. In this context, the equation-of-state-based flash calculation used to predict the equilibrium properties of each phase for a given fluid mixture going through phase splitting is a crucial component, and often a bottleneck, of multi-phase flow simulations. In this paper, a capillarity-wise Thermodynamics-Informed Neural Network is developed for the first
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Sundman, Bo, and John Ågren. "Computer Applications in the Development of Steels." MRS Bulletin 24, no. 4 (1999): 32–36. http://dx.doi.org/10.1557/s0883769400052167.

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Despite the fact that thermodynamic calculations, strictly speaking, apply only to equilibrium, they may of ten be used in nonequilibrium situations. If one or several of the stable phases are suppressed in the calculations, we have a metastable equilibrium, which is often of practical interest. For example, one may calculate the driving force available to form the more stable phases and model nucleation.Thermodynamic calculations may be performed stepwise to predict microseg-regation during solidification by a Scheil-type calculation (no diffusion in the solid State, infinite diffusion in the
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Belov, G. V. "Calculation of Equilibrium Composition of Complex Thermodynamic Systems using Julia Language and Ipopt Library." Herald of the Bauman Moscow State Technical University. Series Instrument Engineering, no. 3 (136) (September 2021): 24–45. http://dx.doi.org/10.18698/0236-3933-2021-3-24-45.

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The article considers the possibility of using the Ipopt optimization package for the calculating the phase and equilibrium compositions of a multicomponent heterogeneous thermodynamic system. Two functions are presented for calculating the equilibrium composition and properties of complex thermodynamic systems, written in the Julia programming language. These functions are the key ones in the program integrated with the IVTANTERMO database on thermodynamic properties of individual substances and used for conducting test calculations. The test calculations showed that Ipopt package allows dete
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Ewing, Mark E., and Daron A. Isaac. "Thermodynamic Property Calculations for Equilibrium Mixtures." Journal of Thermophysics and Heat Transfer 32, no. 1 (2018): 118–28. http://dx.doi.org/10.2514/1.t5144.

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Lothenbach, Barbara. "Thermodynamic equilibrium calculations in cementitious systems." Materials and Structures 43, no. 10 (2010): 1413–33. http://dx.doi.org/10.1617/s11527-010-9592-x.

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Földényi, Rita, and Aurél Marton. "Organisation of the Analytical, Stoichiometric, and Thermodynamic Information for water Chemistry Calculations." Hungarian Journal of Industry and Chemistry 43, no. 1 (2015): 33–38. http://dx.doi.org/10.1515/hjic-2015-0006.

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Abstract A common feature of the chemical processes of the hydrosphere and water treatment plants is that essentially the same types of chemical equilibrium reactions occur in both fields. These equilibria could be acid/base, complexation, redox, precipitation, and interfacial processes. Since these reactions may also occur in combination, the aqueous environments are unavoidably multispecies systems. Due to multiple equilibria, the state of aggregation, the state of oxidation, as well as the electric charge of the species may change dramatically. Calculation of the equilibrium concentration o
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Ramette, Richard W. "REACT: Exploring Practical Thermodynamic and Equilibrium Calculations." Journal of Chemical Education 72, no. 3 (1995): 240. http://dx.doi.org/10.1021/ed072p240.

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Novák, Josef P., Vlastimil Růžička, Jaroslav Matouš, and Jiří Pick. "Liquid-liquid equilibrium. Computation of liquid-liquid equilibrium in terms of an equation of state." Collection of Czechoslovak Chemical Communications 51, no. 7 (1986): 1382–92. http://dx.doi.org/10.1135/cccc19861382.

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An algorithm for calculating the boiling point pressure at a chosen temperature and composition was used for computing liquid-liquid equilibrium. A lot of attention is paid to the determination of the first approximation which is specified in terms of the conditions of thermodynamic stability. The conditions of thermodynamic stability make as well possible to localize the lower and upper critical end points (LCEP and UCEP. The Redlich-Kwong-Soave equation of state was applied in calculations, and it was found out that this equation with zero interaction parameters predicts well the lower and u
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Pelton, A. D. "Thermodynamic databases and equilibrium calculations in metallurgical processes." Pure and Applied Chemistry 69, no. 5 (1997): 969–78. http://dx.doi.org/10.1351/pac199769050969.

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Ze-Qing, Wu, Han Guo-Xing, and Pang Jin-Qiao. "Opacity Calculations for Non-Local Thermodynamic Equilibrium Mixtures." Chinese Physics Letters 19, no. 4 (2002): 518–20. http://dx.doi.org/10.1088/0256-307x/19/4/321.

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Dissertations / Theses on the topic "Thermodynamic Equilibrium Calculations"

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Qu, Jingang. "Acceleration of Numerical Simulations with Deep Learning : Application to Thermodynamic Equilibrium Calculations." Electronic Thesis or Diss., Sorbonne université, 2023. https://accesdistant.sorbonne-universite.fr/login?url=https://theses-intra.sorbonne-universite.fr/2023SORUS530.pdf.

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Les simulations numériques sont un outil puissant pour analyser les systèmes dynamiques, mais peuvent être coûteuses en termes de calcul et prendre beaucoup de temps pour les systèmes complexes à haute résolution. Au cours des dernières décennies, les chercheurs se sont efforcés d'accélérer les simulations numériques grâce à des améliorations algorithmiques et au calcul haute performance (HPC). Plus récemment, l'intelligence artificielle (IA) pour la science est en plein essor et implique l'utilisation de techniques d'IA, spécifiquement l'apprentissage automatique et l'apprentissage profond, p
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Zinser, Alexander [Verfasser], Kai [Gutachter] Sundmacher, and Achim [Gutachter] Kienle. "Dynamic methods for thermodynamic equilibrium calculations in process simulation and process optimization / Alexander Zinser ; Gutachter: Kai Sundmacher, Achim Kienle." Magdeburg : Universitätsbibliothek Otto-von-Guericke-Universität, 2019. http://d-nb.info/1219937207/34.

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Höglund, Andreas. "Electronic Structure Calculations of Point Defects in Semiconductors." Doctoral thesis, Uppsala universitet, Fysiska institutionen, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-7926.

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In this thesis point defects in semiconductors are studied by electronic structure calculations. Results are presented for the stability and equilibrium concentrations of native defects in GaP, InP, InAs, and InSb, for the entire range of doping conditions and stoichiometry. The native defects are also studied on the (110) surfaces of InP, InAs, and InSb. Comparing the relative stability at the surface and in the bulk, it is concluded that the defects have a tendency to migrate to the surface. It is found that the cation vacancy is not stable, but decomposes into an anion antisite-anion vacanc
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Belsito, Danielle L. "Application of Computational Thermodynamic and Solidification Kinetics to Cold Sprayable Powder Alloy Design." Digital WPI, 2014. https://digitalcommons.wpi.edu/etd-dissertations/28.

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Military aircraft that require high maneuverability, durability, ballistic protection, reparability, and energy efficiency require structural alloys with low density, high toughness, and high strength. Also, repairs to these aircraft demand a production process that has the flexibility to be relatively in-situ with the same high-performance output. Materials produced by the cold spray process, a thermo-mechanical powder consolidation technique, meet many of the requirements. In accordance with President Obama’s 2011 Materials Genome Initiative, the focus of this effort is to design customiz
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Lundholm, Karin. "Fate of Cu, Cr, As and some other trace elements during combustion of recovered waste fuels." Doctoral thesis, Umeå : Department of Applied Physics and Electronics, Umeå Univ, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-1132.

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Bratberg, Johan. "Phase equilibria and thermodynamic properties of high-alloy tool steels : theoretical and experimental approach." Doctoral thesis, Stockholm, 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-453.

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Yamada, Ryo. "Application of Steepest-Entropy-Ascent Quantum Thermodynamics to Solid-State Phenomena." Diss., Virginia Tech, 2018. http://hdl.handle.net/10919/85866.

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Steepest-entropy-ascent quantum thermodynamics (SEAQT) is a mathematical and theoretical framework for intrinsic quantum thermodynamics (IQT), a unified theory of quantum mechanics and thermodynamics. In the theoretical framework, entropy is viewed as a measure of energy load sharing among available energy eigenlevels, and a unique relaxation path of a system from an initial non-equilibrium state to a stable equilibrium is determined from the greatest entropy generation viewpoint. The SEAQT modeling has seen a great development recently. However, the applications have mainly focused on gas pha
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Davie, Stuart James. "Relative Free Energies from Non-Equilibrium Simulations: Application to Changes in Density." Thesis, Griffith University, 2014. http://hdl.handle.net/10072/365922.

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Knowledge of free-energy differences for states of a system provides an essential component in understanding many processes, including solubility, reaction rates, and phase changes. Therefore, the development of efficient, accurate free-energy calculation routines has long been of interest within the field of molecular modelling. Until recently, thermodynamic integration, free-energy perturbation and slow-change techniques were the only approaches available for the calculation of free-energy differences between two states of a system. However, with the discovery of non-equilibrium free-energ
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Razavi, Seyed Mostafa. "OPTIMIZATION OF A TRANSFERABLE SHIFTED FORCE FIELD FOR INTERFACES AND INHOMOGENEOUS FLUIDS USING THERMODYNAMIC INTEGRATION." University of Akron / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=akron1481881698375321.

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Maghsoodloobabakhani, Saheb. "Cristallisation à l'équilibre et hors équilibre d'hydrates mixtes de gaz : Mesures PVTx et modélisation thermodynamique." Thesis, Lyon, 2018. http://www.theses.fr/2018LYSEM027.

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Dans ce travail, afin d'étudier la formation à l’équilibre et hors équilibre des hydrates mixtes de gaz, deux procédures de formation, rapide et lente, ont été appliqué à des mélanges de CH4-C2H6-C3H8-nC4H10-CO2-N2. L'objectif de ces deux procédures est d'examiner les effets cinétiques de la vitesse de cristallisation sur l'état final, soit dans des conditions dynamiques habituelles (formation rapide) soit en régime permanent (formation lente). Contrairement à la plupart des données de la littérature, qui fournissent uniquement des données de température-pression-composition gaz (PTy), cette é
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Books on the topic "Thermodynamic Equilibrium Calculations"

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1940-, Sandler Stanley I., ed. Models for thermodynamic and phase equilibria calculations. Dekker, 1994.

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Gupta, Roop N. Calculations and curve fits of thermodynamic and transport properties for equilibrium air to 30000 K. Langley Research Center, 1991.

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N, Gupta Roop, and United States. National Aeronautics and Space Administration. Scientific and Technical Information Program., eds. Calculations and curve fits of thermodynamic and transport properties for equilibrium air to 30 000 K. National Aeronautics and Space Administration, Scientific and Technical Information Program, 1991.

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Gordon, Sanford. Computer program for calculation of complex chemical equilibrium compositions and applications. National Aeronautics and Space Administration, Office of Management, Scientific and Technical Information Program, 1996.

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Gordon, Sanford. Computer program for calculation of complex chemical equilibrium compositions and applications. National Aeronautics and Space Administration, Office of Management, Scientific and Technical Information Program, 1994.

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Gordon, Sanford. Computer program for calculation of complex chemical equilibrium compositions and applications. NASA, 1994.

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A, Reno Martin, Gordon Sanford, and United States. National Aeronautics and Space Administration. Scientific and Technical Information Program., eds. CET93 and CETPC: An interim updated version of the NASA Lewis computer program for calculating complex chemical equilibria with applications. National Aeronautics and Space Administration, Office of Management, Scientific and Technical Information Program, 1994.

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Calculations and curve fits of thermodynamic and transport properties for equilibrium air to 30 000 K. National Aeronautics and Space Administration, Office of Management, Scientific and Technical Information Program, 1991.

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Currier, Robert Patrick. A statistical mechanical group contribution method for calculating thermodynamic properties of fluids. 1987.

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Electrical Installation Calculations: For Compliance with BS 7671. Blackwell Science Inc, 1998.

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Book chapters on the topic "Thermodynamic Equilibrium Calculations"

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Chen, Long-Qing. "Thermodynamic Calculations of Materials Processes." In Thermodynamic Equilibrium and Stability of Materials. Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-13-8691-6_8.

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Stateva, Roumiana P., and Georgi St Cholakov. "Challenges in the Modeling of Thermodynamic Properties and Phase Equilibrium Calculations for Biofuels Process Design." In Process Systems Engineering for Biofuels Development. John Wiley & Sons, Ltd, 2020. http://dx.doi.org/10.1002/9781119582694.ch4.

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Duan, Yu, and Guobin Xu. "Analysis of River Stability in the Middle Reaches of Huaihe River Based on Non-equilibrium Thermodynamicsins." In Lecture Notes in Civil Engineering. Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-19-6138-0_91.

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AbstractRiver stability is an important attribute of a river, which includes river pattern stability and river bed stability. The stability of the middle reaches of Huaihe River is one of the important problems concerned by the workers in Huaihe River regulation. The study of the stability of the middle reaches of Huaihe River is of great significance to the river regulation planning and flood prevention and control. To explore the stability of the middle reaches of Huaihe River, the research combined with hydrological data, trying to base on the theory of non-equilibrium thermodynamics system to determine the stability of river pattern, and using the unit stream power calculation formula to analyze the river stability. The research show that, the middle reaches of Huaihe River from Zhengyangguan to Fushan, the river pattern of each section is in a stable state, there is no possibility of conversion in the short time. The variation amplitude of unit stream power in each reach tends to decrease, the natural evolution of the riverbed is also in a stable state. Through the research, the applicability of the river stability analysis method based on the non-equilibrium thermodynamics theory in the Huaihe River is verified, and formed a set of analysis methods suitable for the stability judgment and development evolution trend of the Huaihe River. In this study, the stability of the middle reaches of the Huaihe River was judged theoretically, and the adjustment direction of the river and the evolution trend of the river bed were predicted.
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Bharti, Anand, Debashis Kundu, Dharamashi Rabari, and Tamal Banerjee. "COSMO-SAC: A Predictive Model for Calculating Thermodynamic Properties on a-priori Basis." In Phase Equilibria in Ionic Liquid Facilitated Liquid–Liquid Extractions. CRC Press, 2017. http://dx.doi.org/10.1201/9781315367163-3.

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Riyahi Malayeri, Kamrooz, Patrik Ölund, and Ulf Sjöblom. "Thermodynamic Calculations Versus Instrumental Analysis of Slag-Steel Equilibria in an ASEA–SKF Ladle Furnace." In Bearing Steel Technologies: 10th Volume, Advances in Steel Technologies for Rolling Bearings. ASTM International, 2014. http://dx.doi.org/10.1520/stp158020140025.

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He, Ruoyu, Guangmin Zhao, and Yidong Luo. "Study on the effect of sulfur and silicon dioxide on the reaction of CaO and Na2O with chromium during municipal solid waste incineration based on thermodynamic equilibrium calculation." In Advances in Civil Engineering and Environmental Engineering, Volume 2. CRC Press, 2023. http://dx.doi.org/10.1201/9781003383031-43.

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Clugston, Michael, Malcolm Stewart, and Fabrice Birembaut. "Chemical Equilibrium." In Making the Transition to University Chemistry. Oxford University Press, 2021. http://dx.doi.org/10.1093/hesc/9780198757153.003.0006.

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This chapter introduces equilibria and equilibrium constants. Equilibrium is recorded when the rate of the forward reaction equates to the rate of the backwards reaction. When equilibrium has been reached, the concentrations of all the substances remain constant. The thermodynamic equilibrium constant is devised when the standard Gibbs energy change is in line with the natural logarithm of the equilibrium constant. The chapter lists the equilibrium calculations mostly used in universities. Le Chatelier's principle refers to the small conditions changes subjected at a system in equilibrium as the equilibrium tends to shift to minimize the effect of the change.
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Atkins, Peter, Julio de Paula, and David Smith. "The origin of thermodynamic properties." In Elements of Physical Chemistry. Oxford University Press, 2016. http://dx.doi.org/10.1093/hesc/9780198727873.003.0072.

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This chapter shows how the molecular partition function is used to calculate and give insight into important thermodynamic functions: internal energy, heat capacity, entropy, and Gibbs energy. It talks about the final step into the calculations of chemically significant expressions when the Gibbs energy is available that shows how equilibrium constants can be calculated from structural and spectroscopic data. It also provides a molecular interpretation of thermodynamic properties that acts as a bridge between spectroscopy and thermodynamics. The chapter reviews how a partition function is used to calculate and interpret thermodynamic properties of systems as small as atoms and as large as biopolymers. It highlights the equilibrium constant, which is related to the distribution of molecules over the available states of a system composed of reactants and products.
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Semeshkin, Vitalii, and Radion Cherkez. "RELATIONSHIP OF NON-EQUILIBRIUM THERMODYNAMICS IN THE HETEROGENEOUS PERMEABLE THERMOELEMENTS." In Science, technology and innovation in the modern world. Publishing House “Baltija Publishing”, 2023. http://dx.doi.org/10.30525/978-9934-26-364-4-1.

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A significant number of thermoelectric processes are described with fundamental law of thermodynamics. This paper describes thermoelectric processes in the permeable thermoelements, which are described with the help of relationships of non-equilibrium thermodynamics. The thermoelectric effects, which are described in this work, are laid in the basis of the work of thermoelectric elements, which make up the modules of generators and coolers. Any thermoelectric module can work in refrigerating regime as well as in generator regime. The difference is that, in order to generate energy and to work in the refrigerating regime, the different temperatures and different semiconductors are optimal, which are used in development of thermoelectric modules. The heterogenous materials, which are used to create new thermoelectric modules, can be defined as materials with different sharp heterogeneity of durability from one phase to the other. This heterogeneity of durability may be caused by microstructure of diversity, heterogeneity of the crystal structure or compositional diversity. The size of phases may be in the range from micrometers to millimeters, the geometry of phases may change and create different material systems. The object of this research is the processes in non-equilibrium thermodynamic systems. The subject of the research is the flow of thermodynamic processes in heterogeneous materials, relationship of non-equilibrium thermodynamics in the heterogeneous permeable thermoelements. The methodology of the research is based on the common scientific methods of analysis and synthesis, induction and deduction, observation and abstraction, which are used to systemize results and calculations of thermoelectric systems. The aim of the work is familiarization with the relationship of non-equilibrium thermodynamics, its systematization and calculation of optimal parameters of permeable thermoelement on its basis. This paper describes the physical nature of thermodynamic and thermoelectric phenomenon, based on the newest actual and classic works of the branch of thermoelectricity, non-equilibrium thermodynamics, applied and thermoelectric material science, and their practical application. The analytical review of the literature about the problematics of non-equilibrium thermodynamics in heterogeneous systems was done. We observed the advantages and disadvantages of these systems. The practical part of this work consists of the calculation of parameters of permeable thermoelement made of thermoelectric material on the base of BismuthTtelluride for thermoelectric cooler or, as it used to say in the field of thermoelectricity, thermoelectric heat pump, calculation of dependence of its parameters on amount and size of channels of permeable thermoelement. While investigating the relationship of non-equilibrium thermodynamics, exactly Gibbs’ equation, Boltzmann’s equation, the equation of coolant and heat flow, equation of cooling coefficient, we systemized them and calculated the optimal parameters for the permeable thermoelectric element of cooling on the base of diverse semiconducting alloy Bi2Te3. On the basis of these calculations, we graphically represented the dependence of parameters of semiconducting permeable thermoelectric element on width of its channel, showed optimal definition of width of channel of permeable thermoelectric element. The results of research showed that, by means of the system of channels with the heat carrier, which make changes in the gradient and the temperature’s distribution on the element, is the significant advantage of the cooling factor of the thermoelectric electric over impenetrable.
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"Chapter 11 | Chemical Equilibrium Calculations." In The ASTM Computer Program for Chemical Thermodynamic and Energy Release Evaluation - Chetah® Version 11.0. ASTM International, 2020. http://dx.doi.org/10.1520/ds51hol20200011.

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Conference papers on the topic "Thermodynamic Equilibrium Calculations"

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Hurley, C. D., M. Whiteman, and C. W. Wilson. "The Calculation of Thermodynamic Non Equilibrium Combustion Product Compositions." In ASME 1999 International Gas Turbine and Aeroengine Congress and Exhibition. American Society of Mechanical Engineers, 1999. http://dx.doi.org/10.1115/99-gt-275.

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A method is presented by which the product composition and temperature of constant pressure combustion reactions can be calculated for non equilibrium conditions, by constraining the products free energy and entropy. The calculations for a hydrogen/ oxygen system are compared with chemical kinetic predictions. From the calculated compositions the relationship between free energy and extent of reaction are derived and thence how the individual product mole fractions vary with extent of reaction. The application of these techniques to modelling combustion chemistry is discussed.
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Zimmer, A. T., and P. Biswas. "336. Thermodynamic Equilibrium Calculations as an Occupational Assessment Tool: Welding Alloy Examples." In AIHce 1998. AIHA, 1999. http://dx.doi.org/10.3320/1.2762736.

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Zhao, Baofeng, Li Sun, Xiaodong Zhang, et al. "Thermodynamic Equilibrium Analysis of Rice Husk Pyrolysis." In ASME Turbo Expo 2008: Power for Land, Sea, and Air. ASMEDC, 2008. http://dx.doi.org/10.1115/gt2008-51052.

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Pyrolysis of biomass materials can implement the efficient conversion of biomass to gaseous, liquid and solid energy products. Compared with experimental research which needs massive apparatus and funds and also takes long time, the computer simulation of biomass pyrolysis is more convenient and flexible to achieve the main characteristics of the process. Simulation of thermodynamic equilibrium for the pyrolysis of rice husk was studied in this paper. Based on the minimization of Gibbs free energy, MATLAB was used to calculate thermodynamic equilibrium for the pyrolysis of rice husk in the tem
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Hosokawa, Yoshifumi. "Models for chloride ion bindings in hardened cement paste using thermodynamic equilibrium calculations." In 2nd International RILEM Symposium on Advances in Concrete through Science and Engineering. RILEM Publications, 2006. http://dx.doi.org/10.1617/2351580028.025.

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Paolini, Christopher P., and Subrata Bhattacharjee. "The IGE Model: An Extension of the Ideal Gas Model to Include Chemical Composition as Part of the Equilibrium State." In ASME 2010 International Mechanical Engineering Congress and Exposition. ASMEDC, 2010. http://dx.doi.org/10.1115/imece2010-40762.

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The TEST (The Expert System for Thermodynamics, www.thermofluids.net) web portal is a comprehensive thermodynamic courseware consisting of multimedia problems and examples, an online solution manual for educators, traditional thermodynamic charts and tables, fifteen chapters of animations to illustrate thermodynamic systems and fundamental concepts, and a suite of thermodynamic calculators called daemons for evaluating thermodynamic properties and analyzing thermodynamic problems.. The state module offers Java applets for evaluation of thermodynamic states of different working substances group
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Depraz, Se´bastien, Philippe Rivie`re, Marie-Yvonne Perrin, and Anouar Soufiani. "Band Models for Radiative Transfer in Non-LTE Diatomic Molecules of CO2-N2 Plasmas." In 2010 14th International Heat Transfer Conference. ASMEDC, 2010. http://dx.doi.org/10.1115/ihtc14-22301.

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A statistical narrow-band model is developed for the optically non-thin electronic systems of carbonaceous molecules in CO2-N2 plasmas and its accuracy is studied under equilibrium and non-equilibrium conditions. Line by line calculations are used to produce curves of growth of transmissivities from which band model parameters are calculated by least-square adjustments. The model is shown to provide quite accurate description of radiative properties and radiative intensities for Doppler, Lorentz, and Voigt line profiles, and for both local thermodynamic equilibrium and a multi-temperature desc
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Rowe, A., M. Karunaratne, and R. C. Thomson. "NiCoCrAlYHf Coating Evolution through Multiple Refurbishment Processing on a Single Crystal Nickel Superalloy." In AM-EPRI 2013, edited by D. Gandy and J. Shingledecker. ASM International, 2013. http://dx.doi.org/10.31399/asm.cp.am-epri-2013p0412.

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Abstract A combination of creep tests, ex-service blade samples, thermodynamic equilibrium calculations, combined thermodynamic and kinetic calculations, image analysis, chemical composition mapping and heat treatments have been conducted on PWA1483 to determine if microstructural rejuvenation can be achieved when taking the presence of oxidation coatings into account as part of a blade refurbishment strategy. The work has shown that the γ′ morphology changes during creep testing, and that through subsequent heat treatments the γ′ microstructure can be altered to achieve a similar γ′ size and
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Kermani, Mohammad J., and Andrew G. Gerber. "Thermodynamic and Aerodynamic Loss Evaluation of Supersonic Nucleating Steam With Shocks." In ASME 2002 Joint U.S.-European Fluids Engineering Division Conference. ASMEDC, 2002. http://dx.doi.org/10.1115/fedsm2002-31087.

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Near saturation steam undergoing rapid expansion is numerically studied in a series of converging diverging nozzles with and without shocks. A detailed examination of the aerodynamic and thermodynamic losses are performed for thermodynamic non-equilibrium conditions. The calculations rely on a new numerical model, previously reported, for non-equilibrium phase change with droplet nucleation. In a systematic approach, the model results are first validated versus experimentally available data and then applied to more general flow situations to assess loss mechanisms. The results indicate that fo
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Korotkikh, A., and I. Sorokin. "EFFECT OF BORON ON THE COMBUSTION CHARACTERISTICS OF METALLIZED HIGH-ENERGY MATERIALS." In 9TH INTERNATIONAL SYMPOSIUM ON NONEQUILIBRIUM PROCESSES, PLASMA, COMBUSTION, AND ATMOSPHERIC PHENOMENA. TORUS PRESS, 2020. http://dx.doi.org/10.30826/nepcap9a-31.

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The paper presents the results of thermodynamic calculations of the effect of pure boron additives on combustion characteristics of high-energy materials (HEM) based on ammonium perchlorate, ammonium nitrate, active fuel-binder, and powders of aluminum Al, titanium Ti, magnesium Mg, and boron B. The combustion parameters and the equilibrium composition of condensed combustion products (CCPs) of HEM model compositions were obtained with thermodynamic calculation program “Terra.” The compositions of solid propellants with different ratios of metals (Al/B, Ti/B, Mg/B, and Al/Mg/B) were considered
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Wu, Bei, and Hui Zhang. "Vapor Transport Controlled Process Models for AlN Bulk Sublimation Growth." In ASME 2004 Heat Transfer/Fluids Engineering Summer Conference. ASMEDC, 2004. http://dx.doi.org/10.1115/ht-fed2004-56564.

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Sublimation vapor transport method is a widely used technique for the production of optoelectronic materials, such as AlN single crystals. Inductively heated method is most commonly used in high temperature materials processing. In the literature, a one-step reaction with two vapor species, i.e. aluminum (Al) vapor and nitrogen (N2) gas, is usually assumed and a diffusion-controlled growth mechanism is used with thermodynamic equilibrium calculations. In the growth experiments, crystal growth may be in the kinetic controlled region, the interplay between surface kinetics and vapor transport is
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Reports on the topic "Thermodynamic Equilibrium Calculations"

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Kotlar, Anthony J. The Proper Interpretation of the Internal Energy of Formation Used in Thermodynamic Equilibrium Calculations. Defense Technical Information Center, 1992. http://dx.doi.org/10.21236/ada252369.

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Crowley, David, Yitzhak Hadar, and Yona Chen. Rhizosphere Ecology of Plant-Beneficial Microorganisms. United States Department of Agriculture, 2000. http://dx.doi.org/10.32747/2000.7695843.bard.

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Rhizoferrin, a siderophore produced by Rhizopus arrhizus, has been shown in previous studies to be an outstanding Fe carrier to plants. However, calculations based on stability constants and thermodynamic equilibrium lead to contradicting conclusions. In this study a kinetic approach was employed to elucidate this apparent contradiction and to determine the behavior of rhizoferrin under conditions representing soil and nutrient solutions. Stability of Fe3+ complexes in nutrient solution, rate of metal exchange with Ca, and rate of Fe extraction by the free ligand were monitored for rhizoferrin
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Trowbridge, L. D., and J. M. Leitnaker. SOLGAS refined: A computerized thermodynamic equilibrium calculation tool. Office of Scientific and Technical Information (OSTI), 1993. http://dx.doi.org/10.2172/10137601.

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Terah, E. I. Practical classes in general chemistry for students of specialties «General Medicine», «Pediatrics», «Dentistry». SIB-Expertise, 2022. http://dx.doi.org/10.12731/er0556.13042022.

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Videos of 11 practical lessons on general chemistry are presented. The following topics are considered – chemical thermodynamics and kinetics, chemical equilibrium, methods of expressing the concentration of solutions, electrolyte solutions, pH, buffer solutions, hydrolysis, redox pro-cesses. For each topic, the main theoretical provisions are given, as well as a detailed solution of typical calculation problems is given. The total dura-tion of the video lessons is 8 hours 21 minutes.
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Trowbridge, L. D., and J. M. Leitnaker. A spreadsheet-coupled SOLGAS: A computerized thermodynamic equilibrium calculation tool. Revision 1. Office of Scientific and Technical Information (OSTI), 1995. http://dx.doi.org/10.2172/106516.

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