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Journal articles on the topic 'Chemical kinetic modeling'

Author: Grafiati

Published: 8 June 2024

Last updated: 31 July 2025

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1

Suleymanov, Yury. "Advancing chemical kinetic modeling." Science 372, no. 6537 (2021): 44.2–44. http://dx.doi.org/10.1126/science.372.6537.44-b.

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Pitz, W. J., C. K. Westbrook, O. Herbinet, and E. J. Silke. "KS-2: Progress in Chemical Kinetic Modeling for Surrogate Fuels(Keynote Papers)." Proceedings of the International symposium on diagnostics and modeling of combustion in internal combustion engines 2008.7 (2008): 9–15. http://dx.doi.org/10.1299/jmsesdm.2008.7.9.

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3

Boukhalfa, Nora. "Chemical Kinetic Modeling of Methane Combustion." Procedia Engineering 148 (2016): 1130–36. http://dx.doi.org/10.1016/j.proeng.2016.06.561.

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4

ERTEKİN, Özlem. "Example of A Kinetic Mathematical Modeling in Food Engineering." ITM Web of Conferences 22 (2018): 01029. http://dx.doi.org/10.1051/itmconf/20182201029.

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Mathematical modeling of biochemical, chemical reaction processes facilitates understanding. The kinetics of these reaction processes can be analyzed mathematically and kinetics are presented as systems of differential equations. Mathematical model of a reaction kinetic is studied in this study. Bernoulli-Sub equation function method is used in this study. This example can be new model for food engineering applications.

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Edeleva, Mariya, Paul H. M. Van Steenberge, Maarten K. Sabbe, and Dagmar R. D’hooge. "Connecting Gas-Phase Computational Chemistry to Condensed Phase Kinetic Modeling: The State-of-the-Art." Polymers 13, no. 18 (2021): 3027. http://dx.doi.org/10.3390/polym13183027.

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In recent decades, quantum chemical calculations (QCC) have increased in accuracy, not only providing the ranking of chemical reactivities and energy barriers (e.g., for optimal selectivities) but also delivering more reliable equilibrium and (intrinsic/chemical) rate coefficients. This increased reliability of kinetic parameters is relevant to support the predictive character of kinetic modeling studies that are addressing actual concentration changes during chemical processes, taking into account competitive reactions and mixing heterogeneities. In the present contribution, guidelines are fo

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Fedoseev, V. B., and Е. N. Fedoseeva. "Kinetics of chemical reactions in spray." Kinetika i kataliz 65, no. 2 (2024): 107–15. http://dx.doi.org/10.31857/s0453881124020016.

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The number of observations demonstrating a significant effect of droplet sizes on the kinetics of chemical processes has increased with the expansion of the scope of application of spray technology. The equations linking the concentrations of reagents, the volume of droplets, the initial composition of the solution, the composition of the gas medium and the speed of processes are formulated within the framework of formal chemical kinetics. Using the example of second-order reactions (coupling, exchange, condensation, polymerization, polycondensation), it is shown that size kinetic effects occu

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Martínez, Haydee, Joaquín Sánchez, José-Manuel Cruz, Guadalupe Ayala, Marco Rivera, and Thomas Buhse. "Modeling of Scale-Dependent Bacterial Growth by Chemical Kinetics Approach." Scientific World Journal 2014 (2014): 1–8. http://dx.doi.org/10.1155/2014/820959.

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We applied the so-called chemical kinetics approach to complex bacterial growth patterns that were dependent on the liquid-surface-area-to-volume ratio (SA/V) of the bacterial cultures. The kinetic modeling was based on current experimental knowledge in terms of autocatalytic bacterial growth, its inhibition by the metabolite CO2, and the relief of inhibition through the physical escape of the inhibitor. The model quantitatively reproduces kinetic data of SA/V-dependent bacterial growth and can discriminate between differences in the growth dynamics of enteropathogenicE. coli,E. coli JM83, and

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Escanciano, Itziar A., Mateusz Wojtusik, Jesús Esteban, Miguel Ladero, and Victoria E. Santos. "Modeling the Succinic Acid Bioprocess: A Review." Fermentation 8, no. 8 (2022): 368. http://dx.doi.org/10.3390/fermentation8080368.

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Succinic acid has attracted much interest as a key platform chemical that can be obtained in high titers from biomass through sustainable fermentation processes, thus boosting the bioeconomy as a critical production strategy for the future. After several years of development of the production of succinic acid, many studies on lab or pilot scale production have been reported. The relevant experimental data reveal underlying physical and chemical dynamic phenomena. To take advantage of this vast, but disperse, kinetic information, a number of mathematical kinetic models of the unstructured non-s

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Louca, Stilianos, Mary I. Scranton, Gordon T. Taylor, Yrene M. Astor, Sean A. Crowe, and Michael Doebeli. "Circumventing kinetics in biogeochemical modeling." Proceedings of the National Academy of Sciences 116, no. 23 (2019): 11329–38. http://dx.doi.org/10.1073/pnas.1819883116.

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Microbial metabolism drives biogeochemical fluxes in virtually every ecosystem. Modeling these fluxes is challenged by the incredible diversity of microorganisms, whose kinetic parameters are largely unknown. In poorly mixed systems, such as stagnant water columns or sediments, however, long-term bulk microbial metabolism may become limited by physical transport rates of substrates across space. Here we mathematically show that under these conditions, biogeochemical fluxes are largely predictable based on the system’s transport properties, chemical boundary conditions, and the stoichiometry of

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Westbrook, Charles K. "Chemical kinetic modeling of higher hydrocarbon fuels." AIAA Journal 24, no. 12 (1986): 2002–9. http://dx.doi.org/10.2514/3.9559.

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11

Silke, Emma J., William J. Pitz, Charles K. Westbrook, and Marc Ribaucour. "Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation†." Journal of Physical Chemistry A 111, no. 19 (2007): 3761–75. http://dx.doi.org/10.1021/jp067592d.

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12

Lai, Jason Y. W., Kuang C. Lin, and Angela Violi. "Biodiesel combustion: Advances in chemical kinetic modeling." Progress in Energy and Combustion Science 37, no. 1 (2011): 1–14. http://dx.doi.org/10.1016/j.pecs.2010.03.001.

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13

Wu, Kuo-Chun, Simone Hochgreb, and Michael G. Norris. "Chemical kinetic modeling of exhaust hydrocarbon oxidation." Combustion and Flame 100, no. 1-2 (1995): 193–201. http://dx.doi.org/10.1016/0010-2180(94)00078-7.

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14

Freund, H., and W. N. Olmstead. "Detailed chemical kinetic modeling of butylbenzene pyrolysis." International Journal of Chemical Kinetics 21, no. 7 (1989): 561–74. http://dx.doi.org/10.1002/kin.550210707.

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15

Ruiz-Gutiérrez, Gema, Araceli Rodríguez-Romero, Antonio Tovar-Sánchez, and Javier R. Viguri Fuente. "Analysis and Modeling of Sunscreen Ingredients’ Behavior in an Aquatic Environment." Oceans 3, no. 3 (2022): 340–63. http://dx.doi.org/10.3390/oceans3030024.

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Sunscreens have become a product based on increasingly complex formulations that include, among many ingredients, a mixture of UV filters to provide optimal sun ultraviolet radiation protection. A significant group of scientific works deals with the impact of UV filters in aquatic media. However, the knowledge of the mechanism and kinetics of the compound’s direct release, fate, and its transformation and interaction with living organisms is necessary to assess its environmental occurrence and behavior and to predict potential and real impacts on the aquatic environment. This review outlines t

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16

Beschkov, V., T. Sapundzhiev, K. Petrov, and E. Vasileva. "Mathematical Modeling for Studying Microbial Processes – Some Examples." Serdica Journal of Computing 4, no. 1 (2010): 19–28. http://dx.doi.org/10.55630/sjc.2010.4.19-28.

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Mathematical modeling may have different purposes in chemical and biochemical engineering sciences. One of them is to confirm or to reject kinetic models for certain processes, or to evaluate the importance of some transport phenomena on the net chemical or biochemical reaction rate. In the present paper different microbial processes are considered and modeled for evaluation of kinetic constants for batch and continuous processes accomplished by free and immobilized microbial cells. The practical examples are from the field of wastewater treatment and biosynthesis of products, like enzymes, la

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Venier, Cesar M., Erick Torres, Gastón G. Fouga, Rosa A. Rodriguez, Germán Mazza, and Andres Reyes Urrutia. "Computational Modeling of Biomass Fast Pyrolysis in Fluidized Beds with Eulerian Multifluid Approach." Fluids 9, no. 12 (2024): 301. https://doi.org/10.3390/fluids9120301.

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This study investigated the fast pyrolysis of biomass in fluidized-bed reactors using computational fluid dynamics (CFD) with an Eulerian multifluid approach. A detailed analysis was conducted on the influence of various modeling parameters, including hydrodynamic models, heat transfer correlations, and chemical kinetics, on the product yield. The simulation framework integrated 2D and 3D geometrical setups, with numerical experiments performed using OpenFOAM v11 and ANSYS Fluent v18.1 for cross-validation. While yield predictions exhibited limited sensitivity to drag and thermal models (with

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Rasane, Prasad, Alok Jha, Sawinder Kaur, Vikas Kumar, and Nitya Sharma. "Chemical Kinetic Modeling of Nutricereal based Fermented Baby Food for Shelf Life Prediction." Current Nutrition & Food Science 15, no. 4 (2019): 384–93. http://dx.doi.org/10.2174/1573401314666171226151852.

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Background: A nutricereal based fermented baby food was investigated to predict its shelf life using chemical kinetic modeling. An optimized baby food formulation, packaged in metalized polyester packets was stored at accelerated conditions for 180 days and analyzed for Hydroxy Methyl Furfural (HMF), Thiobarbituric Value (TBA), Free Fatty Acid Content (FFA) and sensory characteristics. Objective: The objective of the study was to determine the shelf life of the optimized nutricereal based fermented baby food using chemical kinetic modeling. Methods: Chemical kinetics analysis by investigating

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Pandey, D. K., and S. Biswas. "Analysis of the Experimental Data of Acid Hydrolysis in Micelle Assemblies Using Kinetic Model." International Journal of ChemTech Research 13, no. 3 (2020): 195–202. http://dx.doi.org/10.20902/ijctr.2019.130316.

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Acid Hydrolysis of carboxylate ester with hydroxamate ions in micellar media has been discussed in our last research works. In this paper, we used all the obtained kinetic experimental data for correlation and explanation by modeling techniques. We know the different types of modeling techniques available and used in the current times. Michael menten one site total binding constant and one site fite Ki models apply for the explanation of kinetics data. The models were given a good explanation and correlation of these types of kinetic data.

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Wu, Jun-Lin, Zhi-Hui Li, Ao-Ping Peng, Xing-Cai Pi, and Xin-Yu Jiang. "Utility computable modeling of a Boltzmann model equation for bimolecular chemical reactions and numerical application." Physics of Fluids 34, no. 4 (2022): 046111. http://dx.doi.org/10.1063/5.0088440.

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A Boltzmann model equation (kinetic model) involving the chemical reaction of a multicomponent gaseous mixture is derived based on Groppi's work [“A Bhatnagar–Gross–Krook-type approach for chemically reacting gas mixtures,” Phys. Fluids 16, 4273 (2004)], in which the relaxation parameters of elastic collision frequency for rigid elastic spheres are obtained based on the collision term, and the pivotal collision frequency of the chemical reaction is deduced from the chemical reaction rate that is determined by the direct simulation Monte Carlo (DSMC) method. This kinetic model is shown to be co

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21

Shenvi, Neil, J. M. Geremia, and Herschel Rabitz. "Efficient chemical kinetic modeling through neural network maps." Journal of Chemical Physics 120, no. 21 (2004): 9942–51. http://dx.doi.org/10.1063/1.1718305.

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22

Jin, Hanfeng, Lili Xing, Junyu Hao, et al. "A chemical kinetic modeling study of indene pyrolysis." Combustion and Flame 206 (August 2019): 1–20. http://dx.doi.org/10.1016/j.combustflame.2019.04.040.

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23

ZHANG, Sicong, Wei CHENG, Chengzhi WANG, and Huijun LI. "Computer-aided Chemical Kinetic Modeling in Near Space." Chinese Journal of Space Science 42, no. 1 (2022): 91. http://dx.doi.org/10.11728/cjss2022.01.201019094.

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24

Oo, Chit Wityi, Masahiro Shioji, Hiroshi Kawanabe, Susan A. Roces, and Nathaniel P. Dugos. "A Skeletal Kinetic Model For Biodiesel Fuels Surrogate Blend Under Diesel-Engine Conditions." ASEAN Journal of Chemical Engineering 15, no. 1 (2015): 52. http://dx.doi.org/10.22146/ajche.49693.

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The biodiesel surrogate fuels are realistic kinetic tools to study the combustion of actual biodiesel fuels in diesel engines. The knowledge of fuel chemistry aids in the development of combustion modeling. In order to numerically simulate the diesel combustion, it is necessary to construct a compact reaction model for describing the chemical reaction. This study developed a skeletal kinetic model of methyl decanoate (MD) and n-heptane as a biodiesel surrogate blend for the chemical combustion reactions. The skeletal kinetic model is simply composed of 45 chemical species and 74 reactions base

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25

Avramovic, Jelena, Olivera Stamenkovic, Zoran Todorovic, Miodrag Lazic, and Vlada Veljkovic. "Empirical modeling the ultrasound-assisted base-catalyzed sunflower oil methanolysis kinetics." Chemical Industry and Chemical Engineering Quarterly 18, no. 1 (2012): 115–27. http://dx.doi.org/10.2298/ciceq110705053a.

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The ultrasound-assisted sunflower oil methanolysis catalyzed by KOH was studied to define a simple empirical kinetic model useful for reactor design without complex computation. It was assumed that the neutralization of free fatty acids and the saponification reaction were negligible. The methanolysis process rate was observed to be controlled by the mass transfer limitation in the initial heterogeneous regime and by the chemical reaction in the later pseudo-homogeneous regime. The model involving the irreversible second-order kinetics was established and used for simulation of the triacylglyc

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26

Li, Kuijun, Priyadarshi Mahapatra, K. Sham Bhat, David C. Miller, and David S. Mebane. "Multi-scale modeling of an amine sorbent fluidized bed adsorber with dynamic discrepancy reduced modeling." Reaction Chemistry & Engineering 2, no. 4 (2017): 550–60. http://dx.doi.org/10.1039/c7re00040e.

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27

Koss, Abigail R., Manjula R. Canagaratna, Alexander Zaytsev, et al. "Dimensionality-reduction techniques for complex mass spectrometric datasets: application to laboratory atmospheric organic oxidation experiments." Atmospheric Chemistry and Physics 20, no. 2 (2020): 1021–41. http://dx.doi.org/10.5194/acp-20-1021-2020.

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Abstract. Oxidation of organic compounds in the atmosphere produces an immensely complex mixture of product species, posing a challenge for both their measurement in laboratory studies and their inclusion in air quality and climate models. Mass spectrometry techniques can measure thousands of these species, giving insight into these chemical processes, but the datasets themselves are highly complex. Data reduction techniques that group compounds in a chemically and kinetically meaningful way provide a route to simplify the chemistry of these systems but have not been systematically investigate

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Kutlugil’dina, Galiya G. "Kinetic scheme of apple pectin oxidative transformations under the action of the ozone-oxygen mixture." Butlerov Communications 61, no. 2 (2020): 79–89. http://dx.doi.org/10.37952/roi-jbc-01/20-61-2-79.

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Mathematical modeling of apple pectin oxidative transformations (AP) under the action of the ozone-oxygen mixture in aqueous solutions (the reaction system "AP + O3 + O2 + H2O") has been carried out. The kinetic scheme of the oxidation process was compiled basing on the well-known ideas of liquid-phase oxidation mechanisms of organic compounds (taking into account the currently known experimental results on AP oxidation). Using the "KhimKinOptima" software package for the proposed scheme, the inverse and direct chemical kinetics problems were solved. The well-known literature data on the rate

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29

Berkemeier, Thomas, Matteo Krüger, Aryeh Feinberg, Marcel Müller, Ulrich Pöschl, and Ulrich K. Krieger. "Accelerating models for multiphase chemical kinetics through machine learning with polynomial chaos expansion and neural networks." Geoscientific Model Development 16, no. 7 (2023): 2037–54. http://dx.doi.org/10.5194/gmd-16-2037-2023.

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Abstract. The heterogeneous chemistry of atmospheric aerosols involves multiphase chemical kinetics that can be described by kinetic multi-layer models (KMs) that explicitly resolve mass transport and chemical reactions. However, KMs are computationally too expensive to be used as sub-modules in large-scale atmospheric models, and the computational costs also limit their utility in inverse-modeling approaches commonly used to infer aerosol kinetic parameters from laboratory studies. In this study, we show how machine learning methods can generate inexpensive surrogate models for the kinetic mu

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Ghobadi Nejad, Zahra, Soheila Yaghmaei, Nazanin Moghadam, and Bahareh Sadeghein. "Some Investigations on Protease Enzyme Production Kinetics UsingBacillus licheniformisBBRC 100053 and Effects of Inhibitors on Protease Activity." International Journal of Chemical Engineering 2014 (2014): 1–6. http://dx.doi.org/10.1155/2014/394860.

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Due to great commercial application of protease, it is necessary to study kinetic characterization of this enzyme in order to improve design of enzymatic reactors. In this study, mathematical modeling of protease enzyme production kinetics which is derived fromBacillus licheniformisBBRC 100053 was studied (at 37°C, pH 10 after 73 h in stationary phase, and 150 rpm). The aim of the present paper was to determine the best kinetic model and kinetic parameters for production of protease and calculatingKi(inhibition constant) of different inhibitors to find the most effective one. The kinetic param

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Abedi, Shiva, Aligholi Niaei, Najaf Namjou, Darioush Salari, Ali Tarjomannejad, and Behrang Izadkhah. "Experimental and Modeling Study of CO-Selective Catalytic Reduction of NO Over Perovskite-Type Nanocatalysts." Periodica Polytechnica Chemical Engineering 64, no. 1 (2019): 46–53. http://dx.doi.org/10.3311/ppch.13767.

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In this work LaFeO3, LaFe0.7Mn0.3O3 and LaMn0.7Fe0.3O3 nanocatalysts with perovskite structures have been synthesized by sol-gel method. The selective catalytic reduction of NO with CO (CO-SCR) using synthesized nanocatalysts was investigated in a plug flow reactor. The kinetics of CO-SCR process was studied and three kinetic models were used to describe the behavior of the system, including power low model (PLM), kinetic model 1 (KM1) and kinetic model 2 (KM2). The KM1 was the best model with correlation coefficients of 0.9924, 0.9911 and 0.9902 and the sum of squared errors of 0.0504, 0.0488

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32

Gaïl, Sandro, Philippe Dagaut, Gráinne Black, and John M. Simmie. "Kinetics of 1,2-Dimethylbenzene Oxidation and Ignition: Experimental and Detailed Chemical Kinetic Modeling." Combustion Science and Technology 180, no. 10-11 (2008): 1748–71. http://dx.doi.org/10.1080/00102200802258270.

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33

Niu, Qigui, Shilong He, Yanlong Zhang, Yu Zhang, Min Yang, and Yu-You Li. "Bio-kinetics evaluation and batch modeling of the anammox mixed culture in UASB and EGSB reactors: batch performance comparison and kinetic model assessment." RSC Advances 6, no. 5 (2016): 3487–500. http://dx.doi.org/10.1039/c5ra14648h.

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To predict the process performance and evaluate the MSAA of anammox biomass, a number of kinetic models were conducted both for UASB-anammox biomass and EGSB-anammox. All of the kinetics simulation resluts were compared to assess the kinetic models.

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34

Simon, Cory M. "The SIR dynamic model of infectious disease transmission and its analogy with chemical kinetics." PeerJ Physical Chemistry 2 (September 18, 2020): e14. http://dx.doi.org/10.7717/peerj-pchem.14.

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Mathematical models of the dynamics of infectious disease transmission are used to forecast epidemics and assess mitigation strategies. In this article, we highlight the analogy between the dynamics of disease transmission and chemical reaction kinetics while providing an exposition on the classic Susceptible–Infectious–Removed (SIR) epidemic model. Particularly, the SIR model resembles a dynamic model of a batch reactor carrying out an autocatalytic reaction with catalyst deactivation. This analogy between disease transmission and chemical reaction enables the exchange of ideas between epidem

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35

Simu, Sebastian, Adriana Ledeţi, Elena-Alina Moacă, et al. "Thermal Degradation Process of Ethinylestradiol—Kinetic Study." Processes 10, no. 8 (2022): 1518. http://dx.doi.org/10.3390/pr10081518.

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The present study reports the results obtained after the analysis of the thermal stability and decomposition kinetics of widely used synthetic derivative of estradiol, ethinylestradiol (EE), as a pure active pharmaceutical ingredient. As investigational tools, Fourier transformed infrared spectroscopy (FTIR), thermal analysis, and decomposition kinetics modeling of EE were employed. The kinetic study was realized using three kinetic methods, namely Kissinger, Friedman, and Flynn-Wall-Ozawa. The results of the kinetic study are in good agreement, suggesting that the main decomposition process o

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Palmisano, Giovanni, Vittorio Loddo, and Vincenzo Augugliaro. "Two-Dimensional Modeling of an Externally Irradiated Slurry Photoreactor." International Journal of Chemical Reactor Engineering 11, no. 2 (2013): 675–85. http://dx.doi.org/10.1515/ijcre-2012-0049.

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Abstract A batch cylindrical photocatalytic reactor, externally irradiated by 1–6 UV fluorescent lamps and containing a stirred slurry of polycrystalline TiO2, was modeled by coupling a modified Langmuir–Hinshelwood kinetics together with a two-dimensional light intensity field. The radiation field has been determined on the main assumptions of diffuse radiation, isotropic scattering and negligible backward reflected photon flow. The model has been applied to the photocatalytic oxidation of organic substrates which do not undergo homogeneous photochemical degradation. The model is characterize

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37

Dubnikova, Faina, and Assa Lifshitz. "Isomerization of Indole. Quantum Chemical Calculations and Kinetic Modeling." Journal of Physical Chemistry A 105, no. 14 (2001): 3605–14. http://dx.doi.org/10.1021/jp004038+.

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Dubnikova, Faina, and Assa Lifshitz. "Isomerization of Pyrrole. Quantum Chemical Calculations and Kinetic Modeling." Journal of Physical Chemistry A 102, no. 52 (1998): 10880–88. http://dx.doi.org/10.1021/jp983251r.

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Slavinskaya, N. A., U. Riedel, V. E. Messerle, and A. B. Ustimenko. "Chemical Kinetic Modeling in Coal Gasification Processes: an Overview." Eurasian Chemico-Technological Journal 15, no. 1 (2012): 1. http://dx.doi.org/10.18321/ectj134.

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<p>Coal is the fuel most able to cover world deficiencies in oil and natural gas. This motivates the development of new and more effective technologies for coal conversion into other fuels. Such technologies are focused on coal gasification with production of syngas or gaseous hydrocarbon fuels, as well as on direct coal liquefaction with production of liquid fuels. The benefits of plasma application in these technologies is based on the high selectivity of the plasma chemical processes, the high efficiency of conversion of different types of coal including those of low quality, relative

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Metcalfe, W. K., S. Dooley, and F. L. Dryer. "Comprehensive Detailed Chemical Kinetic Modeling Study of Toluene Oxidation." Energy & Fuels 25, no. 11 (2011): 4915–36. http://dx.doi.org/10.1021/ef200900q.

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CATHONNET, M. "Chemical Kinetic Modeling of Combustion from 1969 to 2019." Combustion Science and Technology 98, no. 4-6 (1994): 265–79. http://dx.doi.org/10.1080/00102209408935412.

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42

Benjamin, Kenneth M., and Phillip E. Savage. "Detailed Chemical Kinetic Modeling of Methylamine in Supercritical Water." Industrial & Engineering Chemistry Research 44, no. 26 (2005): 9785–93. http://dx.doi.org/10.1021/ie050926l.

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43

Atangana, Ernestine. "New insight kinetic modeling: Models above classical chemical mechanic." Chaos, Solitons & Fractals 128 (November 2019): 16–24. http://dx.doi.org/10.1016/j.chaos.2019.07.013.

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44

Andrae, J. C. G. "Comprehensive chemical kinetic modeling of toluene reference fuels oxidation." Fuel 107 (May 2013): 740–48. http://dx.doi.org/10.1016/j.fuel.2013.01.070.

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45

Smith, C. Michael, and Philipp E. Savage. "Reactions of polycyclic alkylaromatics—VI. Detailed chemical kinetic modeling." Chemical Engineering Science 49, no. 2 (1994): 259–70. http://dx.doi.org/10.1016/0009-2509(94)80043-x.

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Ordoñez, Sayra, Iván A. Reyes, Francisco Patiño, et al. "Dissolution of Lithium Contained in Lepidolite Using Ascorbic Acid: Kinetic and Modeling Analysis." Materials 17, no. 22 (2024): 5447. http://dx.doi.org/10.3390/ma17225447.

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In this work, a kinetic study and modeling of the decomposition of a rock sample in an ascorbic acid medium with a high content of lepidolite phase were carried out, the results of which are of great importance due to the sample’s high lithium (Li) content. The rock sample was characterized by X-ray diffraction (XRD), inductively coupled plasma atomic emission spectroscopy (ICP-AES) and X-ray photoelectron spectroscopy (XPS), and the mineral species detected in the sample were lepidolite, at 65.3%, quartz, at 30.6%, and muscovite, at 4.1%, with a quantitative chemical analysis indicating the p

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Yao, Xingjun, Zhenxue Wang, Ming Qian, Qiulin Deng, and Peiyong Sun. "Kinetic Aspects of Esterification and Transesterification in Microstructured Reactors." Molecules 29, no. 15 (2024): 3651. http://dx.doi.org/10.3390/molecules29153651.

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Microstructured reactors offer fast chemical engineering transfer and precise microfluidic control, enabling the determination of reactions’ kinetic parameters. This review examines recent advancements in measuring microreaction kinetics. It explores kinetic modeling, reaction mechanisms, and intrinsic kinetic equations pertaining to two types of microreaction: esterification and transesterification reactions involving acids, bases, or biocatalysts. The utilization of a micro packed-bed reactor successfully achieves a harmonious combination of the micro-dispersion state and the reaction kineti

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Ismagilova, A. S., Z. A. Khamidullina, and S. I. Spivak. "Development and automation of algorithm for determining basis of nonlinear parameter functions of kinetic constants." Kataliz v promyshlennosti 19, no. 4 (2019): 252–57. http://dx.doi.org/10.18412/1816-0387-2019-4-252-257.

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Mathematical modeling of catalytic processes is necessary for the complete and accurate description, as well as for controlling the quality and physicochemical studied of catalysts. In the paper, theoretical issues of industrial catalysis are discussed. The work is devoted to theoretical graph analysis of informativity of kinetic parameters of the model of a complex chemical reaction. The aim is the development and automation of algorithm for determining basis of nonlinear parameter functions in solving inverse problems of chemical kinetics in order to define the number and form of independent

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Menshutina, Natalia V., Igor V. Lebedev, Evgeniy A. Lebedev, Ratmir R. Dashkin, Mikhail V. Shishanov, and Maxim L. Burdeyniy. "STUDY AND MODELING 4,4'-DIAMINODIPHENYLMETHANE SYNTHESIS." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 64, no. 4 (2021): 100–103. http://dx.doi.org/10.6060/ivkkt.20216404.6314.

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The presented work is devoted to reactions of obtaining 4,4´-diaminodiphenylmethane in the presence of a catalyst. The work describes the importance of studying 4,4´-diaminodiphenylmethane obtaining process and possibility of cellular automata approach in modelling chemical reactions. Cellular automata model which allows to predict the kinetic curves of the studied 4,4´-diaminodiphenylmethane-obtaining reaction. Model reflects two processes that are observed in the system under study - the movement of reagents under the stirring and the reaction in the presence of a catalyst. The suggested mod

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Miyoshi, Akira. "OS3-1 KUCRS - Detailed Kinetic Mechanism Generator for Versatile Fuel Components and Mixtures(OS3 Application of chemical kinetics to combustion modeling,Organized Session Papers)." Proceedings of the International symposium on diagnostics and modeling of combustion in internal combustion engines 2012.8 (2012): 116–21. http://dx.doi.org/10.1299/jmsesdm.2012.8.116.

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