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Статті в журналах з теми "Chemical kinetics"

Автор: Grafiati

Опубліковано: 4 червня 2021

Оновлено: 25 липня 2025

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1

Yablonsky, Gregory, Daniel Branco, Guy Marin, and Denis Constales. "New Invariant Expressions in Chemical Kinetics." Entropy 22, no. 3 (2020): 373. http://dx.doi.org/10.3390/e22030373.

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This paper presents a review of our original results obtained during the last decade. These results have been found theoretically for classical mass-action-law models of chemical kinetics and justified experimentally. In contrast with the traditional invariances, they relate to a special battery of kinetic experiments, not a single experiment. Two types of invariances are distinguished and described in detail: thermodynamic invariants, i.e., special combinations of kinetic dependences that yield the equilibrium constants, or simple functions of the equilibrium constants; and “mixed” kinetico-t

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2

Zhong, Wei, and Zhou Tian. "Application of Genetic Algorithm in Chemical Reaction Kinetics." Applied Mechanics and Materials 79 (July 2011): 71–76. http://dx.doi.org/10.4028/www.scientific.net/amm.79.71.

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In this paper, a summary of Genetic Algorithm methods developed recent years applied in chemical reaction kinetics was presented. The applications of the Genetic Algorithm in reduction of the chemical reaction kinetics, estimation of the chemical kinetic parameters and calculation of the chemical kinetic equations were expounded here. Eventually, the confronted problem and developing trend of the application of Genetic Algorithm methods in chemical kinetics were reviewed.

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3

Moses, Julianne I. "Chemical kinetics on extrasolar planets." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 372, no. 2014 (2014): 20130073. http://dx.doi.org/10.1098/rsta.2013.0073.

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Chemical kinetics plays an important role in controlling the atmospheric composition of all planetary atmospheres, including those of extrasolar planets. For the hottest exoplanets, the composition can closely follow thermochemical-equilibrium predictions, at least in the visible and infrared photosphere at dayside (eclipse) conditions. However, for atmospheric temperatures , and in the uppermost atmosphere at any temperature, chemical kinetics matters. The two key mechanisms by which kinetic processes drive an exoplanet atmosphere out of equilibrium are photochemistry and transport-induced qu

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4

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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5

Borgert, C. J., C. Fuentes, and L. D. Burgoon. "Principles of dose-setting in toxicology studies: the importance of kinetics for ensuring human safety." Archives of Toxicology 95, no. 12 (2021): 3651–64. http://dx.doi.org/10.1007/s00204-021-03155-4.

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AbstractRegulatory toxicology seeks to ensure that exposures to chemicals encountered in the environment, in the workplace, or in products pose no significant hazards and produce no harm to humans or other organisms, i.e., that chemicals are used safely. The most practical and direct means of ensuring that hazards and harms are avoided is to identify the doses and conditions under which chemical toxicity does not occur so that chemical concentrations and exposures can be appropriately limited. Modern advancements in pharmacology and toxicology have revealed that the rates and mechanisms by whi

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6

Udgaonkar, Jayant B., and George P. Hess. "Acetylcholine receptor kinetics: Chemical kinetics." Journal of Membrane Biology 93, no. 2 (1986): 93–109. http://dx.doi.org/10.1007/bf01870803.

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7

Cruz Camacho, Elkin Alejandro, Juan Andrés Montoya Arguello, and Jesús Alberto Ágreda Bastidas. "CHEMical KINetics SimuLATOR (Chemkinlator): A friendly user interface for chemical kinetics simulations." Revista Colombiana de Química 49, no. 1 (2020): 40–47. http://dx.doi.org/10.15446/rev.colomb.quim.v1n49.83298.

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CHEMical KINetics SimuLATOR is a Graphical User Interface for the simulation of reaction mechanisms. The interface allows the user to see and change the parameters of a reaction network within a single window. Chemkinlator comes with built-in support for three types of kinetic simulations: Time Series, which computes the concentration of all species in an interval of time in a defined model; Bifurcation diagrams, which are the result of running several Time Series simulations over gradually different kinetic rate constants; and Flow/Temperature time series, which takes into account the effect

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8

Tran, Hai Nguyen. "Differences between Chemical Reaction Kinetics and Adsorption Kinetics: Fundamentals and Discussion." Journal of Technical Education Science, no. 70B (June 28, 2022): 33–47. http://dx.doi.org/10.54644/jte.70b.2022.1154.

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Adsorption kinetics is an essential part in adsorption studies. The pseudo-first-order (PFO) and pseudo-second-order (PSO) models are frequently used to model the experimental dataset of time-dependent adsorption. The differential equations (based on reaction rate and rate law) of the PFO and PSO models are similar to those of chemical reactions (i.e., first and second order-kinetic reactions). The adsorption kinetics is illustrated through the plot of qt (the amount of adsorbate adsorbed by adsorbent at time t) vs. time. This plot includes two important regions (kinetic and equilibrium). The

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9

Bosch, Hans. "Comprehensive chemical kinetics, vol. 23, kinetics and chemical technology." Applied Catalysis 20, no. 1-2 (1986): 326–27. http://dx.doi.org/10.1016/0166-9834(86)80038-0.

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10

Derouane, EricG. "Comprehensive chemical kinetics, vol. 23 kinetics and chemical technology." Journal of Molecular Catalysis 39, no. 3 (1987): 389–90. http://dx.doi.org/10.1016/0304-5102(87)80086-x.

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11

Schmalzried, Hermann. "Chemical kinetics at solid-solid interfaces." Pure and Applied Chemistry 72, no. 11 (2000): 2137–47. http://dx.doi.org/10.1351/pac200072112137.

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The kinetics of solid-solid interfaces controls in part the course of heterogeneous reactions in the solid state, in particular in miniaturized systems. In this paper, the essential situations of interface kinetics in solids are defined, and the basic formal considerations are summarized. In addition to the role interfaces play as resistances for transport across them, they offer high diffusivity paths laterally and thus represent two-dimensional reaction media. Experimental examples will illustrate the kinetic phenomena at static and moving boundaries, including problems such as exchange flux

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12

Constales, Denis, Gregory Yablonsky, Yiming Xi, and Guy Marin. "Egalitarian Kinetic Models: Concepts and Results." Energies 14, no. 21 (2021): 7230. http://dx.doi.org/10.3390/en14217230.

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In this paper, two main ideas of chemical kinetics are distinguished, i.e., a hierarchy and commensuration. A new class of chemical kinetic models is proposed and defined, i.e., egalitarian kinetic models (EKM). Contrary to hierarchical kinetic models (HKM), for the models of the EKM class, all kinetic coefficients are equal. Analysis of EKM models for some complex chemical reactions is performed for sequences of irreversible reactions. Analytic expressions for acyclic and cyclic mechanisms of egalitarian kinetics are obtained. Perspectives on the application of egalitarian models for reversib

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13

Burgess, Donald R., and Jeffrey A. Manion. "70 Years of Evaluated Chemical Kinetics Data in the Journal of Physical and Chemical Reference Data, the National Standard Reference Data System Series, and the NBS Kinetics Data Center." Journal of Physical and Chemical Reference Data 51, no. 2 (2022): 021501. http://dx.doi.org/10.1063/5.0091497.

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We provide an overview of 70 years of evaluated chemical kinetic data published in the Journal of Physical and Chemical Reference Data (dating to 1972), the National Standard Reference Data System series (dating to 1965), as part of the National Bureau of Standards Chemical Kinetics Data Center (dating to 1951), and the National Institute of Standards and Technology Chemical Kinetics Database (SRD 17) (dating to 1990).

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14

Burgess, Donald R., and Jeffrey A. Manion. "70 Years of Evaluated Chemical Kinetics Data in the Journal of Physical and Chemical Reference Data, the National Standard Reference Data System Series, and the NBS Kinetics Data Center." Journal of Physical and Chemical Reference Data 51, no. 2 (2022): 021501. http://dx.doi.org/10.1063/5.0091497.

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Анотація:

We provide an overview of 70 years of evaluated chemical kinetic data published in the Journal of Physical and Chemical Reference Data (dating to 1972), the National Standard Reference Data System series (dating to 1965), as part of the National Bureau of Standards Chemical Kinetics Data Center (dating to 1951), and the National Institute of Standards and Technology Chemical Kinetics Database (SRD 17) (dating to 1990).

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15

Andersen, Ir Bart. "Aquatic chemical kinetics." Colloids and Surfaces 65, no. 4 (1992): 303–4. http://dx.doi.org/10.1016/0166-6622(92)80185-5.

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16

Brown, M. E. "Fundamental Chemical Kinetics." Thermochimica Acta 362, no. 1-2 (2000): 185. http://dx.doi.org/10.1016/s0040-6031(00)00583-9.

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17

Lecca, Paola. "Stochastic chemical kinetics." Biophysical Reviews 5, no. 4 (2013): 323–45. http://dx.doi.org/10.1007/s12551-013-0122-2.

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18

Field, Richard. "Chemical reaction kinetics." Scholarpedia 3, no. 10 (2008): 4051. http://dx.doi.org/10.4249/scholarpedia.4051.

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19

Peter, L. M. "Comprehensive chemical kinetics." Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 251, no. 2 (1988): 429–30. http://dx.doi.org/10.1016/0022-0728(88)85204-5.

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20

Derouane, EricG. "Comprehensive chemical kinetics." Journal of Molecular Catalysis 40, no. 1 (1987): 125. http://dx.doi.org/10.1016/0304-5102(87)80013-5.

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21

Drever, James I. "Aquatic Chemical Kinetics." Geochimica et Cosmochimica Acta 55, no. 5 (1991): 1489. http://dx.doi.org/10.1016/0016-7037(91)90324-x.

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22

Midgley, D. "Aquatic chemical kinetics:." Talanta 38, no. 6 (1991): 687. http://dx.doi.org/10.1016/0039-9140(91)80158-v.

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23

garfinkle, Moishe. "The thermodynamic natural path in chemical reaction kinetics." Discrete Dynamics in Nature and Society 4, no. 2 (2000): 145–64. http://dx.doi.org/10.1155/s1026022600000145.

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The Natural Path approach to chemical reaction kinetics was developed to bridge the considerable gap between the Mass Action mechanistic approach and the non-mechanistic irreversible thermodynamic approach. The Natural Path approach can correlate empirical kinetic data with a high degree precision, as least equal to that achievable by the Mass-Action rate equations, but without recourse mechanistic considerations. The reaction velocities arising from the particular rate equation chosen by kineticists to best represent the kinetic behavior of a chemical reaction are the natural outcome of the N

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24

Bratos, S., M. Wulff, J. Cl Leicknam, and Q. Kong. "Ultrafast chemical kinetics: Elementary chemical act." Chemical Physics Letters 619 (January 2015): 88–91. http://dx.doi.org/10.1016/j.cplett.2014.11.055.

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25

Yablonsky, Gregory S., Denis Constales, and Guy B. Marin. "Joint kinetics: a new paradigm for chemical kinetics and chemical engineering." Current Opinion in Chemical Engineering 29 (September 2020): 83–88. http://dx.doi.org/10.1016/j.coche.2020.06.007.

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26

Vaishali, Rao*1 &. Viplove Mishra2. "COMPARISON OF THEORETICAL AND EXPERIMENTAL VALUES OF THE KINETICS OF HYDROLYSIS OF ETHYL ACETATE." GLOBAL JOURNAL OF ENGINEERING SCIENCE AND RESEARCHES [FRTSSDS- June 2018] (June 22, 2018): 374–76. https://doi.org/10.5281/zenodo.1296266.

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The principles of chemical kinetics apply to purely physical processes as well as to chemical reactions. Study of chemical kinetics is concerned with understanding the rates of chemical reactions. It is to be contrasted with thermodynamics, which deals with the direction in which a process occurs but in itself tells nothing about its rate. Present paper reveals the Chemical kinetics, of some chemicals such as ethyl acetate with the help of conductometeric titration. Thermodynamics is time’s arrow, while chemical kinetics is time’s clock. Chemical kinetics relates to many

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27

Lomova, Tatyana N., Mariya E. Klyueva, Elena Yu Tyulyaeva, and Nataliya G. Bichan. "Use of chemical kinetics for the description of metal porphyrin reactivity." Journal of Porphyrins and Phthalocyanines 16, no. 09 (2012): 1040–54. http://dx.doi.org/10.1142/s1088424612500769.

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The results of use of chemical kinetics receptions, approaches and methods for the study of porphyrins and their metal complexes reactivity are discussed on an example of oxidation, acid-basic, and catalytic reactions of rhodium, palladium, and rhenium complexes of porphyrin in liquid solutions. The peculiarity of the porphyrin reaction rates is analyzed in a brief context of general provisions of the chemical kinetics. The opportunity to use the quasistationarity principle at the definition of the kinetic equation of the reactions with participation of metal porphyrins is shown. The transitio

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28

Nandiyanto, Asep Bayu Dani, Risti Ragadhita, and Meli Fiandini. "How to Calculate and Determine Chemical Kinetics: Step-by-Step Interpretation of Experimental Data to Get Reaction Rate and Order." Indonesian Journal of Science and Technology 9, no. 3 (2024): 759–74. https://doi.org/10.17509/ijost.v9i3.74749.

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Chemical kinetics is a fundamental field of study that focuses on the rates of chemical reactions and the factors influencing them. Determining the rate and order of the chemical reaction is an important aspect of understanding the reaction mechanism. This article presents a step-by-step guide to calculate and determine the rate and order of the reaction through a comprehensive analysis of experimental data. We discussed the concept of chemical kinetics, the integration of the kinetic order method, and the curve-fitting analysis technique. Several case studies are also included to provide prac

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29

Gregory, Andreevich Korablev. "Entropy in chemical kinetics and physics." Advance Research Journal of Multidisciplinary Discoveries 89, no. 1 (2023): 8–13. https://doi.org/10.5281/zenodo.10644579.

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Entropic principles provide the basis for forming functional bonds between many values of chemical kinetics. The equilibrium sum of entropic components of the universal gas constant equal to R/2 has the direct mathematical connection with the geodesic angle tangent. A similar ratio of this parameter is obtained by Arrhenius graphs of reaction rate coefficient dependence on the temperature. When two entropic components move in one format, the equilibrium sum of their energies equals a half of the energy initial value. The established principles are also manifested in other regularities of physi

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30

Trninić, Marta. "Mathematical modelling of primary and secondary pyrolysis: State of the art." FME Transactions 48, no. 4 (2020): 733–44. http://dx.doi.org/10.5937/fme2004733t.

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Pyrolysis process converts biomass into liquid, gaseous and solid fuels. Chemical kinetics play a key role in explaining the characteristics of pyrolysis reactions and developing mathematical models. Many studies have been undertaken to understand the kinetics of biomass pyrolysis; however, due to the heterogeneity of biomass and the complexity of the chemical and physical changes that occur during pyrolysis, it is difficult to develop a simple kinetic model that is applicable in every case. In this review, different methods to describe biomass primary and secondary pyrolysis with different ty

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31

Otsuka, Keigo, Taiki Inoue, Rong Xiang, Shohei Chiashi, Yuichiro K. Kato, and Shigeo Maruyama. "(Invited) Kinetic Selectivity of Chemical Vapor Deposition Growth of Carbon Nanotubes." ECS Meeting Abstracts MA2022-01, no. 10 (2022): 767. http://dx.doi.org/10.1149/ma2022-0110767mtgabs.

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Single-walled carbon nanotubes have been a candidate for outperforming silicon in ultrascaled transistors, but the realization of nanotube-based integrated circuits requires dense arrays of purely semiconducting species. In order to directly growth such nanotube arrays on wafers, control over kinetics and thermodynamics in tube-catalyst systems plays a key role, and further progress requires the comprehensive understanding of seemingly contradictory reports on the growth kinetics. Here, we propose a universal kinetic model that decomposes the growth rates of nanotubes into the adsorption and r

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32

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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33

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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34

Damodar, V. Prabhu, S. Narayan Venkat, and A. Parbat Harichandra. "A Book Review: Basic Concepts of Chemical Kinetics." ENTECH 2, no. 8 (2024): 17–18. https://doi.org/10.5281/zenodo.14919786.

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Анотація:

Iterative International Publishers (India and USA) has recently published a book. It’s titled “<strong>Basic Concepts of Chemical Kinetics.</strong>” Are you curious about how <strong>chemicals</strong> react and change over time? Then “Basic Concepts of Chemical Kinetics” is the perfect book for you! Specifically, three experts wrote this book: <strong>Dr. Damodar V Prabhu</strong>, <strong>Dr. Venkat S Narayan</strong>, and <strong>Dr. Harichandra A Parbat</strong>. Additionally, they explain the main ideas and basics of chemical kinetic

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35

Mihajlovic, Ivan, Nada Strbac, Zivan Zivkovic, and Ilija Ilic. "Kinetics and mechanism of As2S2 oxidation." Journal of the Serbian Chemical Society 70, no. 6 (2005): 869–77. http://dx.doi.org/10.2298/jsc0506869m.

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The kinetics of realgar (As2S2) oxidation was studied under isothermal and non-isothermal conditions. The obtained values of the activation energy indicate that the process occurs in the kinetic domainwith the realgar particles being converted to As2O3 and As4O6 (g). The very fast reaction rates were limited by the chemical reaction. The kinetic equation was found to be: ?ln (1??) = 4.56 x 103 x e(?8780/T) x t. The proposed reaction mechanism and chemical transformation investigated by ICP?AES, EDXRF and thermal analysis are discussed.

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36

Kuwahara, Kazunari, Yoshihiro Hiramura, Shintaro Ohmura, Masahiro Furutani, Yasuyuki Sakai, and Hiromitsu Ando. "OS3-3 Chemical Kinetics Study on Effect of Pressure on Hydrocarbon Ignition Process(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): 128–33. http://dx.doi.org/10.1299/jmsesdm.2012.8.128.

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37

Alexander, M. H. "Chemical Kinetics Under Test." Science 331, no. 6016 (2011): 411–12. http://dx.doi.org/10.1126/science.1201509.

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38

PRIGOGINE, ILYA. "Chemical Kinetics and Dynamics." Annals of the New York Academy of Sciences 988, no. 1 (2003): 128–32. http://dx.doi.org/10.1111/j.1749-6632.2003.tb06091.x.

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39

Novak, Igor. "Chemical Kinetics without Calculus." Journal of Chemical Education 75, no. 12 (1998): 1574. http://dx.doi.org/10.1021/ed075p1574.

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40

Myers, R. Thomas. "Ants and chemical kinetics." Journal of Chemical Education 67, no. 9 (1990): 761. http://dx.doi.org/10.1021/ed067p761.

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41

Lyman, John L., and Redus Holland. "Oxygen fluoride chemical kinetics." Journal of Physical Chemistry 92, no. 26 (1988): 7232–41. http://dx.doi.org/10.1021/j100337a015.

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42

Denuault, G. "Research in chemical kinetics." Journal of Electroanalytical Chemistry 385, no. 2 (1995): 284–85. http://dx.doi.org/10.1016/0022-0728(95)90219-8.

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43

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

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44

Schmalzried, H. "Chemical Kinetics of Solids." Materials Science Forum 239-241 (January 1997): 381–86. http://dx.doi.org/10.4028/www.scientific.net/msf.239-241.381.

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45

Schirmer, W. "Research in Chemical Kinetics." Zeitschrift für Physikalische Chemie 190, Part_2 (1995): 310–11. http://dx.doi.org/10.1524/zpch.1995.190.part_2.310.

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46

Meyer, K. "Chemical Kinetics of Solids." Zeitschrift für Physikalische Chemie 193, Part_1_2 (1996): 213. http://dx.doi.org/10.1524/zpch.1996.193.part_1_2.213.

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47

Derouane, E. G. "Kinetics of chemical processes." Journal of Molecular Catalysis 69, no. 2 (1991): 281. http://dx.doi.org/10.1016/0304-5102(91)80152-s.

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Wigent, Rodney J. "ChemInform Abstract: Chemical Kinetics." ChemInform 44, no. 41 (2013): no. http://dx.doi.org/10.1002/chin.201341276.

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Henderson, R. A. "Kinetics of Homogeneous Multistep Reactions: Comprehensive Chemical Kinetics." Journal of Organometallic Chemistry 645, no. 1-2 (2002): 290–91. http://dx.doi.org/10.1016/s0022-328x(01)01337-7.

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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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Анотація:

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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