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Journal articles on the topic 'Thermochemical modelling'

To see the other types of publications on this topic, follow the link: Thermochemical modelling.

Author: Grafiati

Published: 10 December 2022

Last updated: 29 January 2023

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1

Cherednichenko, Oleksandr, Serhiy Serbin, Mykhaylo Tkach, Jerzy Kowalski, and Daifen Chen. "Mathematical Modelling of Marine Power Plants with Thermochemical Fuel Treatment." Polish Maritime Research 29, no. 3 (September 1, 2022): 99–108. http://dx.doi.org/10.2478/pomr-2022-0030.

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Abstract The article considers the methodological aspects of the theoretical investigation of marine power plants with thermochemical fuel treatment. The results of the study of the complex influence of temperature, pressure, and the ratio of steam / base fuel on the thermochemical treatment efficiency are presented. The adequacy of the obtained regression dependences was confirmed by the physical modelling of thermochemical fuel treatment processes. For a gas turbine power complex with a thermochemical fuel treatment system, the characteristics of the power equipment were determined separately with further merging of the obtained results and a combination of material and energy flow models. Algorithms, which provide settings for the mathematical models of structural and functional blocks, the optimisation of thermochemical energy transformations, and verification of developed models according to the indicators of existing gas turbine engines, were created. The influence of mechanical energy consumption during the organisation of thermochemical processing of fuel on the efficiency of thermochemical recuperation is analysed.

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2

Wheeler, Vincent M., Roman Bader, Peter B. Kreider, Morteza Hangi, Sophia Haussener, and Wojciech Lipiński. "Modelling of solar thermochemical reaction systems." Solar Energy 156 (November 2017): 149–68. http://dx.doi.org/10.1016/j.solener.2017.07.069.

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3

Ogawa, Toru, and Takashi Iwai. "Thermochemical modelling of UZr alloys." Journal of the Less Common Metals 170, no. 1 (June 1991): 101–8. http://dx.doi.org/10.1016/0022-5088(91)90055-9.

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4

Greenwood, A. J., I. Kamp, L. B. F. M. Waters, P. Woitke, W. F. Thi, Ch Rab, G. Aresu, and M. Spaans. "Thermochemical modelling of brown dwarf discs." Astronomy & Astrophysics 601 (April 26, 2017): A44. http://dx.doi.org/10.1051/0004-6361/201629389.

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5

Braz, Ana, Maria Margarida Mateus, Rui Galhano dos Santos, Remígio Machado, João M. Bordado, and M. Joana Neiva Correia. "Modelling of pine wood sawdust thermochemical liquefaction." Biomass and Bioenergy 120 (January 2019): 200–210. http://dx.doi.org/10.1016/j.biombioe.2018.11.001.

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6

Melgar, Andrés, Juan F. Pérez, Hannes Laget, and Alfonso Horillo. "Thermochemical equilibrium modelling of a gasifying process." Energy Conversion and Management 48, no. 1 (January 2007): 59–67. http://dx.doi.org/10.1016/j.enconman.2006.05.004.

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7

Wołowiec-Korecka, E. "Methods of data mining for modelling of low-pressure heat treatment." Journal of Achievements in Materials and Manufacturing Engineering 1, no. 85 (November 1, 2017): 31–40. http://dx.doi.org/10.5604/01.3001.0010.7987.

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Purpose: This paper addresses the methods of the modelling of thermal and thermochemical processes used in computer-aided design, optimization and control of processes of thermal and thermochemical treatment in terms of obtaining real-time results of the calculations, which allows for observation of how an item changes during its treatment to respond immediately and to determine the parameters of a corrective process should any irregularities be detected. The main goal of the literature review was to develop a methodology for the design of functional and effective low-pressure processes of thermal and thermochemical treatments using effective calculation methods. Design/methodology/approach: A detailed analysis was conducted regarding the modelling methods with low-pressure carburizing and low-pressure nitriding. Findings: It was found the following criteria of methods selection of heat treatment modelling should be applied: data quality, data quantity, implementation speed, expected relationship complexity, economic and rational factors. Practical implications: Because of its non-equilibrium nature and transient states in the course of the processes computational support is particularly required in low-pressure thermochemical treatments. The primary goal of the simulation is to predict the course of the process and the final properties of the product, what ensures the repeatability of the process results. Originality/value: It was presented a synthetic presentation of modelling methods, in particular methods of artificial intelligence; it was also analysed the possibilities and risks associated with methods.

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8

Chalyavi, Nahid, Peter S. Doidge, Richard J. S. Morrison, and Guthrie B. Partridge. "Fundamental studies of an atmospheric-pressure microwave plasma sustained in nitrogen for atomic emission spectrometry." Journal of Analytical Atomic Spectrometry 32, no. 10 (2017): 1988–2002. http://dx.doi.org/10.1039/c7ja00159b.

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Fundamental characteristics of a microwave plasma sustained in nitrogen (Agilent 4200 MP-ES) are investigated by a combination of thermochemical modelling and spectroscopic techniques, including Thomson scattering.

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9

Wang, Chengcheng, Hongkun Ma, Abdalqader Ahmad, Hui Yang, Mingxi Ji, Boyang Zou, Binjian Nie, et al. "Discharging Behavior of a Fixed-Bed Thermochemical Reactor under Different Charging Conditions: Modelling and Experimental Validation." Energies 15, no. 22 (November 9, 2022): 8377. http://dx.doi.org/10.3390/en15228377.

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Thermochemical heat storage has attracted significant attention in recent years due to potential advantages associated with very high-energy density at the material scale and its suitability for long-duration energy storage because of almost zero loss during storage. Despite the potential, thermochemical heat storage technologies are still in the early stage of development and little has been reported on thermochemical reactors. In this paper, our recent work on the charging and discharging behavior of a fixed-bed thermochemical reactor is reported. Silica gels were used as the sorbent for the experimental work. An effective model was established to numerically study the effect of different charging conditions on the discharging behavior of the reactor, which was found to have a maximum deviation of 10.08% in terms of the root mean square error compared with the experimental results. The experimentally validated modelling also showed that the discharging temperature lift increased by 5.84 times by changing the flow direction of the air in the discharging process when the charging level was at 20%. At a charging termination temperature of 51.25 °C, the maximum discharging temperature was increased by 2.35 °C by reducing the charging flow velocity from 0.64 m/s to 0.21 m/s. An increase in the charging temperature and a decrease in the air humidity increased the maximum discharging outlet temperature lift by 3.37 and 1.89 times, respectively.

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10

Darkwa, K., and P. W. O'Callaghan. "Mathematical modelling of a thermochemical energy store: Automobile application." Proceedings of the Institution of Mechanical Engineers, Part D: Journal of Automobile Engineering 211, no. 5 (May 1, 1997): 337–46. http://dx.doi.org/10.1243/0954407971526489.

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An analytical evaluation of a thermochemical store for minimizing energy consumption and pollutants simultaneously from automobile engines has been carried out. The analysis of the model indicates a possibility of achieving a working temperature of a typical 2 litre petrol engine within 4 minutes. However, the viability of the model depends on addressing issues such as the life cycle of the storage material and the bed configuration of the store. Experimental validation is therefore recommended.

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11

Al-Ayed, Omar. "Approaches to Biomass Kinetic Modelling: Thermochemical Biomass Conversion Processes." 1 4, Vol4 (April 1, 2021): 1–13. http://dx.doi.org/10.48103/jjeci412021.

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Modeling of biomass pyrolysis kinetics is an essential step towards reactors design for energy production. Determination of the activation energy, frequency factor, and order of the reaction is necessary for the design procedure. Coats and Redfern's work using the TGA data to estimate these parameters was the cornerstone for modeling. There are two significant problems with biomass modeling, the first is the determination of the kinetic triplet (Activation energy, Frequency factor, and the order of reaction), and the second is the quantitative analysis of products distribution. Methods used in modeling are either One-step or Multistep methods. The one-step techniques allow the determination of kinetic triplet but fail to predict the product distribution, whereas multistep processes indicate the product's distribution but challenging to estimate the parameters. Kissinger, Coats, and Redfern, KAS, FWO, Friedman are one-step methods that have been used to estimate the kinetic parameters. In this work, after testing more than 500 data points accessed from different literature sources for coal, oil shale, solid materials, and biomass pyrolysis using one-step global method, it was found that the activation energy generated by KAS or FWO methods are related as in the following equations: 𝐸𝐾𝐴𝑆 = 0.9629 ∗ 𝐸𝐹𝑊𝑂 + 8.85, with R² =0.9945 or 𝐸𝐹𝑊𝑂 = 1.0328 ∗ 𝐸𝐾𝐴𝑆 − 8.0969 with R2= 0.9945. The multistep kinetic models employed the Distributed Activation Energy Model (DAEM) using Gaussian distribution, which suffers from symmetry, other distributions such as Weibull, and logistic has been used. These multistep kinetic models account for parallel/series and complex, primary and secondary biomass reactions by force-fitting the activation energy values. The frequency factor is assumed constant for the whole range of activation energy. Network models have been used to account for heat and mass transfer (diffusional effects), where the one-step and multistep could not account for these limitations. Three network models are available, the Bio-CPD (Chemical Percolation Devolatilization) model, Bio-FLASHCHAIN, and the Bio-FGDVC (Functional Group Depolymerization Vaporization Crosslinking models). These models tried to predict the product distributions of the biomass pyrolysis process

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12

Grassi, T., B. Ercolano, L. Szűcs, J. Jennings, and G. Picogna. "Modelling thermochemical processes in protoplanetary discs I: numerical methods." Monthly Notices of the Royal Astronomical Society 494, no. 3 (April 10, 2020): 4471–91. http://dx.doi.org/10.1093/mnras/staa971.

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ABSTRACT The dispersal phase of planet-forming discs via winds driven by irradiation from the central star and/or magnetic fields in the disc itself is likely to play an important role in the formation and evolution of planetary systems. Current theoretical models lack predictive power to adequately constrain observations. We present prizmo, a code for evolving thermochemistry in protoplanetary discs capable of being coupled with hydrodynamical and multifrequency radiative transfer codes. We describe the main features of the code, including gas and surface chemistry, photochemistry, microphysics, and the main cooling and heating processes. The results of a suite of benchmarks, which include photon-dominated regions, slabs illuminated by radiation spectra that include X-ray, and well-established cooling functions evaluated at different temperatures, show good agreement both in terms of chemical and thermal structures. The development of this code is an important step to perform quantitative spectroscopy of disc winds, and ultimately the calculation of line profiles, which is urgently needed to shed light on the nature of observed disc winds.

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13

Hsu, M. J., and P. A. Molian. "Thermochemical modelling in CO2 laser cutting of carbon steel." Journal of Materials Science 29, no. 21 (November 1994): 5607–11. http://dx.doi.org/10.1007/bf00349954.

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14

Mucklejohn, S. A., and N. W. O'Brien. "Thermochemical parameters for use in modelling metal halide lamps." Lighting Research & Technology 18, no. 2 (June 1986): 88–92. http://dx.doi.org/10.1177/096032718601800205.

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15

Karabanova, Anastasiia, Perizat Berdiyeva, Michel van der Pal, Rune E. Johnsen, Stefano Deledda, and Didier Blanchard. "Intrinsic kinetics in local modelling of thermochemical heat storage systems." Applied Thermal Engineering 192 (June 2021): 116880. http://dx.doi.org/10.1016/j.applthermaleng.2021.116880.

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16

Ginsberg, T., D. Liebig, M. Modigell, and B. Sundermann. "Multizonal thermochemical modelling of heavy metal transfer in incineration plants." Process Safety and Environmental Protection 90, no. 1 (January 2012): 38–44. http://dx.doi.org/10.1016/j.psep.2011.07.002.

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17

Vardhanapu, Shivani, Saif Saeed Khan, Rogith Vijayakrishnan, Himanshu Ranjan, Bhusankar Talluri, and Tiju Thomas. "Modelling thermochemical reversible dot-to-rod transformation in colloidal nanomaterials." Colloids and Surfaces A: Physicochemical and Engineering Aspects 581 (November 2019): 123784. http://dx.doi.org/10.1016/j.colsurfa.2019.123784.

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18

Wiedemeier, H., and M. Singh. "Thermochemical modelling of interfacial reactions in molybdenum disilicide matrix composites." Journal of Materials Science 27, no. 11 (1992): 2974–78. http://dx.doi.org/10.1007/bf01154108.

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19

Tant, M. R., J. B. Henderson, and C. T. Boyer. "Measurement and modelling of the thermochemical expansion of polymer composites." Composites 16, no. 2 (April 1985): 121–26. http://dx.doi.org/10.1016/0010-4361(85)90618-4.

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20

Tsioptsias, Costas, and Ioannis Tsivintzelis. "On the Thermodynamic Thermal Properties of Quercetin and Similar Pharmaceuticals." Molecules 27, no. 19 (October 6, 2022): 6630. http://dx.doi.org/10.3390/molecules27196630.

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The thermodynamic properties of pharmaceuticals are of major importance since they are involved in drug design, processing, optimization and modelling. In this study, a long-standing confusion regarding the thermodynamic properties of flavonoids and similar pharmaceuticals is recognized and clarified. As a case study, the thermal behavior of quercetin is examined with various techniques. It is shown that quercetin does not exhibit glass transition nor a melting point, but on the contrary, it does exhibit various thermochemical transitions (structural relaxation occurring simultaneously with decomposition). Inevitably, the physical meaning of the reported experimental values of the thermodynamic properties, such as the heat of fusion and heat capacity, are questioned. The discussion for this behavior is focused on the weakening of the chemical bonds. The interpretations along with the literature data suggest that the thermochemical transition might be exhibited by various flavonoids and other similar pharmaceuticals, and is related to the difficulty in the prediction/modelling of their melting point.

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21

Nawada, H. P., and N. P. Bhat. "Thermochemical modelling of electrotransport of uranium and plutonium in an electrorefiner." Nuclear Engineering and Design 179, no. 1 (January 1998): 75–99. http://dx.doi.org/10.1016/s0029-5493(97)00245-8.

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22

Henson, Neil J., Anthony K. Cheetham, Michael Stockenhuber, and Johannes A. Lercher. "Modelling aromatics in siliceous zeolites: a new forcefield from thermochemical studies." Journal of the Chemical Society, Faraday Transactions 94, no. 24 (1998): 3759–68. http://dx.doi.org/10.1039/a806175k.

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23

Zeng, Cheng, Shuli Liu, Ashish Shukla, Liu Yang, Xiaojing Han, and Yongliang Shen. "Numerical modelling of the operational effects on the thermochemical reactor performance." Energy and Buildings 230 (January 2021): 110535. http://dx.doi.org/10.1016/j.enbuild.2020.110535.

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24

Tulegenov, Akyl, Bagdaulet Kenzhaliev, Zhansaya Seilkhanova, and Madina Sartayeva. "Mass distribution descriptors in modelling of sorption properties." Chemical Bulletin of Kazakh National University, no. 1 (March 30, 2018): 16–23. http://dx.doi.org/10.15328/cb968.

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The objective of present work is to construct structure-property models for the prediction of applied thermochemical properties of polyatomic molecules based on the mass distribution descriptors. The performance of the model was assessed based on the values of coefficients of determination and root mean square deviations. The results were compared with existing literature values, and it was observed that the mass distribution descriptors not relying on quantum-chemical information exhibit a similar performance compared to quantum-chemical QSPR models and can at least form the reliable foundation for the construction of the quantitative structure-property models. Conclusions were made about the possible applicability of the model.

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25

Poirier, Jacques, Eric Blond, Emmanuel de Bilbao, Rudy Michel, Antoine Coulon, Jean Gillibert, Michel Boussuge, et al. "New advances in the laboratory characterization of refractories: testing and modelling." Metallurgical Research & Technology 114, no. 6 (2017): 610. http://dx.doi.org/10.1051/metal/2017068.

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This publication presents new advances in the field of refractories characterization. These laboratory methods that combine experiments and numerical analyses and concern both the thermomechanical and thermochemical behaviour are illustrated through different examples: identification of asymmetrical creep, determination of elastic and inelastic properties, measurements of macroscopic deformation, phase transformations or corrosion kinetics. These advanced techniques offer the refractory community new opportunities to improve the knowledge and the prediction of the phenomena of degradation of the refractories.

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26

Wolowiec, Emilia, Piotr Kula, Bartłomiej Januszewicz, and Maciej Korecki. "Mathematical Modelling the Low-Pressure Nitriding Process." Applied Mechanics and Materials 421 (September 2013): 377–83. http://dx.doi.org/10.4028/www.scientific.net/amm.421.377.

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This paper discusses the issues of modelling and smart computer support for low-pressure nitriding aimed at achieving more effectively the compatibility between the actual post-treatment properties of a material and the designed properties, which will contribute to improved repeatability of the processes. The principal objective of the experiment was to acquire better understanding of the cause and effect relationship of the low-pressure nitriding processes and to develop the methodology of designing functional and effective processes of low-pressure thermochemical treatment, using effective computational methods. The paper proposes a method of steel classification based on its chemical composition and a model used to forecast the properties of material after low-pressure nitriding, based on the artificial neural networks.

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27

Dimitrakis, Dimitrios A., Maria Syrigou, Souzana Lorentzou, Margaritis Kostoglou, and Athanasios G. Konstandopoulos. "On kinetic modelling for solar redox thermochemical H2O and CO2 splitting over NiFe2O4 for H2, CO and syngas production." Phys. Chem. Chem. Phys. 19, no. 39 (2017): 26776–86. http://dx.doi.org/10.1039/c7cp04002d.

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28

Riaz, Fahid, Muhammad Abdul Qyyum, Awais Bokhari, Jiří Jaromír Klemeš, Muhammad Usman, Muhammad Asim, Muhammad Rizwan Awan, Muhammad Imran, and Moonyong Lee. "Design and Energy Analysis of a Solar Desiccant Evaporative Cooling System with Built-In Daily Energy Storage." Energies 14, no. 9 (April 24, 2021): 2429. http://dx.doi.org/10.3390/en14092429.

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Heat storage with thermochemical (TC) materials is a promising technology for solar energy storage. In this paper, a solar-driven desiccant evaporative cooling (DEC) system for air-conditioning is proposed, which converts solar heat energy into cooling with built-in daily storage. The system utilises thermochemical heat storage along with the DEC technology in a unique way. Magnesium Chloride (MgCl2·6H2O) has been used, which serves as both a desiccant and a thermochemical heat storage medium. The system has been designed for the subtropical climate of Lahore, Pakistan, for a bedroom with 8 h of cooling requirements during the night. MATLAB has been employed for modelling the system. The simulation results show that 57 kg of magnesium chloride is sufficient to meet 98.8% of cooling demand for the entire month of July at an elevated cooling requirement. It was found that the cooling output of the system increased with increasing heat exchanger effectiveness. The heat exchangers’ effectiveness was increased from 0.7 to 0.8, with the solar fraction increased from 70.4% to 82.44%. The cooled air supplied to the building meets the fresh air requirements for proper ventilation.

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29

Srinivasan, Nadipur Sampath, Sven Santén, and Lars-Ingvar Staffansson. "Plasmachrome process for ferrochrome production - thermochemical modelling and application to process data." Steel Research 58, no. 4 (April 1987): 151–56. http://dx.doi.org/10.1002/srin.198700852.

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30

Carlone, Pierpaolo, Dragan Aleksendrić, Velimir Ćirović, and Gaetano S. Palazzo. "Modelling of Thermoset Matrix Composite Curing Process." Key Engineering Materials 611-612 (May 2014): 1667–74. http://dx.doi.org/10.4028/www.scientific.net/kem.611-612.1667.

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Autoclave curing is a common practice to manufacture high temperature thermoset matrix composites in order to improve the mechanical properties of the final product. The cycle design i.e. the definition and optimization of the temperature-time curve is a key issue for a competitive production. In this paper a very fast and effective procedure, based on the coupling of a finite element thermochemical model of the process and an artificial neural network, is proposed to predict the evolution of temperature in predefined control points inside the processing material. The model has been tested against the imposed thermal cycle used as an input. The procedure is tested simulating the curing process of a three-dimensional double-curved shape. Obtained outcomes highlighted the remarkable capabilities of the implemented procedure in terms of reliability of temperature predictions and of drastic reduction of the computational time with respect to classic computational models.

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31

Smirnov, V. N. "Germane decomposition: Kinetic and thermochemical data." Kinetics and Catalysis 48, no. 5 (September 2007): 615–19. http://dx.doi.org/10.1134/s0023158407050023.

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32

Arrazola, Pedro J., Takashi Matsumura, Igor Armentia, and Aitor Kortabarria. "Thermo Mechanical Loads in Ti-6Al-4V Machining." Key Engineering Materials 554-557 (June 2013): 2047–53. http://dx.doi.org/10.4028/www.scientific.net/kem.554-557.2047.

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In recent years titanium alloys demand has increased considerably. Although many progresses have been made during the last years, machining titanium alloys still is considered as quite challenging. This paper shows the results of the fundamental research carried out to understand the thermochemical loads when machining Ti-6Al-4V. A comparative study of empirical and modelling results is carried out on cutting forces and temperatures in orthogonal conditions. Empirical cutting forces are obtained with a piezoelectric sensor while the temperature fields are obtained with an infrared camera. The commercial software AdvantEdge (finite element modelling) is employed to obtain temperature and forces. In 3D, analytical modelling based on energy approach is used to estimate cutting forces while finite difference method is employed to obtain temperature fields. Results show a good correlation among all the approaches.

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33

Han, Seoeum, Sangyoon Lee, and Bok Jik Lee. "Numerical Analysis of Thermochemical Nonequilibrium Flows in a Model Scramjet Engine." Energies 13, no. 3 (January 31, 2020): 606. http://dx.doi.org/10.3390/en13030606.

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This numerical study was conducted to investigate the flow properties in a model scramjet configuration of the experiment in the T4 shock tunnel. In most numerical simulations of flows in shock tunnels, the inflow conditions in the test section are determined by assuming the thermal equilibrium of the gas. To define the inflow conditions in the test section, the numerical simulation of the nozzle flow with the given nozzle reservoir conditions from the experiment is conducted by a thermochemical nonequilibrium computational fluid dynamics (CFD) solver. Both two-dimensional (2D) and three-dimensional (3D) numerical simulations of the flow in a model scramjet were conducted without fuel injection. Simulations were performed for two types of inflow conditions: one for thermochemical nonequilibrium states obtained from the present nozzle simulation and the other for the data available using the thermal equilibrium and chemical nonequilibrium assumptions. The four results demonstrate the significance of the modelling approach for choosing between 2D or 3D, and thermal equilibrium or nonequilibrium.

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34

Höber, Lukas, Roberto Lerche, and Stefan Steinlechner. "Algorithmic Modelling of Advanced Chlorination Procedures for Multimetal Recovery." Metals 11, no. 10 (October 8, 2021): 1595. http://dx.doi.org/10.3390/met11101595.

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In the course of developing an innovative process for CO2-optimised valuable metal recovery from precipitation residues accumulating in the zinc industry or nickel industry, the chlorination reactions were investigated. As the basis of small-scale pyrometallurgical experiments, the selected reaction systems were evaluated by means of thermodynamic calculations. With the help of the thermochemical computation software FactSage (Version 8.0), it is possible to simulate the potential valuable metal recovery from residual materials such as jarosite and goethite. In the course of the described investigations, an algorithmically supported simulation scheme was developed by means of Python 3 programming language. The algorithm determines the optimal process parameters for the chlorination of valuable metals, whereby up to 10,000 scenarios can be processed per iteration. This considers the mutual influences and secondary conditions that are neglected in individual calculations.

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35

Petrova, L., and O. Chudina. "Modelling of processes of thermochemical treatment of metals: traditions of Russian scientific school." International Heat Treatment and Surface Engineering 4, no. 4 (December 2010): 176–80. http://dx.doi.org/10.1179/174951410x12851626813131.

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36

Dobretsov, Nickolay L., Alexey A. Kirdyashkin, Anatoliy G. Kirdyashkin, Valery A. Vernikovsky, and Igor N. Gladkov. "Modelling of thermochemical plumes and implications for the origin of the Siberian traps." Lithos 100, no. 1-4 (January 2008): 66–92. http://dx.doi.org/10.1016/j.lithos.2007.06.025.

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37

Zeng, Cheng, Shuli Liu, Liu Yang, Xiaojing Han, Ming Song, and Ashish Shukla. "Investigation of a three-phase thermochemical reactor through an experimentally validated numerical modelling." Applied Thermal Engineering 162 (November 2019): 114223. http://dx.doi.org/10.1016/j.applthermaleng.2019.114223.

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38

Wyttenbach, Joël, Jacques Bougard, Gilbert Descy, Oleksandr Skrylnyk, Emilie Courbon, Marc Frère, and Fabien Bruyat. "Performances and modelling of a circular moving bed thermochemical reactor for seasonal storage." Applied Energy 230 (November 2018): 803–15. http://dx.doi.org/10.1016/j.apenergy.2018.09.008.

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39

Corcoran, E. C., B. J. Lewis, W. T. Thompson, J. Mouris, and Z. He. "Controlled oxidation experiments of simulated irradiated UO2 fuel in relation to thermochemical modelling." Journal of Nuclear Materials 414, no. 2 (July 2011): 73–82. http://dx.doi.org/10.1016/j.jnucmat.2010.11.063.

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40

Cordfunke, E. H. P., M. E. Huntelaar, F. Funke, M. K. Koch, Ch Kortz, P. K. Mason, M. A. Mignanelli, and M. S. Newland. "Thermochemical data and modelling for ex-vessel corium behaviour during a severe accident." Journal of Nuclear Materials 294, no. 1-2 (April 2001): 18–23. http://dx.doi.org/10.1016/s0022-3115(01)00449-4.

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41

ROUCH, H., M. PONS, A. BENEZECH, J. N. BARBIER, C. BERNARD, and R. MADAR. "Modelling of CVD reactors : thermochemical and mass transport approaches for Si1-xGex deposition." Le Journal de Physique IV 03, no. C3 (August 1993): C3–17—C3–23. http://dx.doi.org/10.1051/jp4:1993302.

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42

Viviani, A., G. Pezzella, and C. Golia. "Effects of thermochemical modelling and surface catalyticity on an Earth re-entry vehicle." Proceedings of the Institution of Mechanical Engineers, Part G: Journal of Aerospace Engineering 225, no. 5 (May 2011): 523–40. http://dx.doi.org/10.1177/2041302510392875.

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43

Pons, M., E. Blanquet, C. Bernard, H. Rouch, J. M. Dedulle, and R. Madar. "Thermochemical and Mass Transport Modelling of the Chemical Vapour Deposition of Si1-xGex." Le Journal de Physique IV 05, no. C5 (June 1995): C5–63—C5–70. http://dx.doi.org/10.1051/jphyscol:1995504.

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Wang, Wenqing, Olaf Kolditz, and Thomas Nagel. "Parallel finite element modelling of multi-physical processes in thermochemical energy storage devices." Applied Energy 185 (January 2017): 1954–64. http://dx.doi.org/10.1016/j.apenergy.2016.03.053.

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Lele, Armand Fopah, Thomas Rönnebeck, Christian Rohde, Thomas Schmidt, Frédéric Kuznik, and Wolfgang K. L. Ruck. "Modelling of Heat Exchangers Based on Thermochemical Material for Solar Heat Storage Systems." Energy Procedia 61 (2014): 2809–13. http://dx.doi.org/10.1016/j.egypro.2014.12.284.

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Darkwa, K., A. Ianakiev, and P. W. O’Callaghan. "Modelling and simulation of adsorption process in a fluidised bed thermochemical energy reactor." Applied Thermal Engineering 26, no. 8-9 (June 2006): 838–45. http://dx.doi.org/10.1016/j.applthermaleng.2005.10.008.

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Costa, Paulo Wendel Corderceira, and Jornandes Dias da Silva. "Solar thermal energy application to dry reforming of methane on the open-cell foam to enhance the energy storage efficiency of a thermochemical fluidized bed membrane reformer: modelling and simulation." Research, Society and Development 10, no. 16 (December 16, 2021): e421101623844. http://dx.doi.org/10.33448/rsd-v10i16.23844.

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Abstract:

The hydrodynamic characterization of the solar-driven CO2 reforming of methane through b-SiC open-cell foam in a fluidized bed configuration is performed by reacting Methane (CH4) with carbon dioxide (CO2). The mathematical modelling is important to design and optimize the reforming methods. Usually, the reforming methods's application through b-SiC foam bed improves the heat transfer and mass transfer due to high porosity and surface area of the b-SiC foam. Fluidized Bed Membrane (FBM) Reformers can be substantially studied as a promising equipment to investigate the thermochemical conversion of CH4 using CO2 to produce solar hydrogen. This work has as main objective a theoretical modelling to describe the process variables of the solar-driven CO2 reforming of methane in the FBM reformer. The FBM reformer is filled with b-SiC open-cell foam where the thermochemical conversion is carried out. The model variables describe the specific aims of work and these objectives can be identified from each equation of the developed mathematical model. The present work has been proposed to study two specific aims as (i) The effective thermal conductivity's effect of the solid phase and (ii) molar flows of chemical components. The endothermic reaction temperature's profiles are notably increased as the numeral value of the effective thermal conductivity's effect of the solid phase. is rised. The solar-driven CO2 reforming method is suggested to improve the Production Rate (PR) of H2 regarding the PR of CO.

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Pons, M., C. Bernard, and R. Madar. "Numerical modelling for CVD simulation and process optimization: coupled thermochemical and mass transport approaches." Surface and Coatings Technology 61, no. 1-3 (December 1993): 274–81. http://dx.doi.org/10.1016/0257-8972(93)90238-j.

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Corcoran, E. C., M. H. Kaye, and M. H. A. Piro. "An overview of thermochemical modelling of CANDU fuel and applications to the nuclear industry." Calphad 55 (December 2016): 52–62. http://dx.doi.org/10.1016/j.calphad.2016.04.010.

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Goetz, V., and J. Llobet. "Testing and modelling of a temperature front solid–gas reactor applied to thermochemical transformer." Applied Thermal Engineering 20, no. 2 (February 2000): 155–77. http://dx.doi.org/10.1016/s1359-4311(99)00015-0.

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