Bibliografias temáticas / Thermochemical and kinetic studies

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Literatura científica selecionada sobre o tema "Thermochemical and kinetic studies"

Autor: Grafiati

Publicado: 16 de novembro de 2024

Última modificação: 5 de julho de 2025

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Artigos de revistas sobre o assunto "Thermochemical and kinetic studies"

Krishnan, K., G. A. Rama Rao, K. D. Singh Mudher, and V. Venugopal. "Thermochemical and kinetic studies on CeTe2O6." Journal of Alloys and Compounds 244, no. 1-2 (1996): 79–84. http://dx.doi.org/10.1016/s0925-8388(96)02435-8.

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Krishnan, K., G. A. Rama Rao, K. D. Singh Mudher, and V. Venugopal. "Thermochemical and kinetic studies on ThTe2O6." Journal of Nuclear Materials 230, no. 1 (1996): 61–66. http://dx.doi.org/10.1016/0022-3115(96)80011-0.

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Lucarini, Marco, Gian Franco Pedulli, Luca Valgimigli, Riccardo Amorati, and Francesco Minisci. "Thermochemical and Kinetic Studies of a Bisphenol Antioxidant." Journal of Organic Chemistry 66, no. 16 (2001): 5456–62. http://dx.doi.org/10.1021/jo015653s.

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Amorati, Riccardo, Marco Lucarini, Veronica Mugnaini, et al. "Hydroxylamines as Oxidation Catalysts: Thermochemical and Kinetic Studies." Journal of Organic Chemistry 68, no. 5 (2003): 1747–54. http://dx.doi.org/10.1021/jo026660z.

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Golovanova, O. F., G. V. Sitonina, V. I. Pepekin, B. L. Korsunskii, and F. I. Dubovitskii. "Kinetic and thermochemical studies of N-nitro and N-nitrosomorpholine." Bulletin of the Academy of Sciences of the USSR Division of Chemical Science 37, no. 5 (1988): 881–86. http://dx.doi.org/10.1007/bf00957051.

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Fedunik-Hofman, Larissa, Alicia Bayon, and Scott W. Donne. "Kinetics of Solid-Gas Reactions and Their Application to Carbonate Looping Systems." Energies 12, no. 15 (2019): 2981. http://dx.doi.org/10.3390/en12152981.

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Reaction kinetics is an important field of study in chemical engineering to translate laboratory-scale studies to large-scale reactor conditions. The procedures used to determine kinetic parameters (activation energy, pre-exponential factor and the reaction model) include model-fitting, model-free and generalized methods, which have been extensively used in published literature to model solid-gas reactions. A comprehensive review of kinetic analysis methods will be presented using the example of carbonate looping, an important process applied to thermochemical energy storage and carbon capture technologies. The kinetic parameters obtained by different methods for both the calcination and carbonation reactions are compared. The experimental conditions, material properties and the kinetic method are found to strongly influence the kinetic parameters and recommendations are provided for the analysis of both reactions. Of the methods, isoconversional techniques are encouraged to arrive at non-mechanistic parameters for calcination, while for carbonation, material characterization is recommended before choosing a specific kinetic analysis method.

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Gokon, Nobuyuki, Kosuke Hayashi, Hiroki Sawaguri, and Fumiya Ohashi. "Long-Term Thermal Cycling Test and Heat-Charging Kinetics of Fe-Substituted Mn2O3 for Next-Generation Concentrated Solar Power Using Thermochemical Energy Storage at High Temperatures." Energies 15, no. 13 (2022): 4812. http://dx.doi.org/10.3390/en15134812.

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We studied the performance in terms of the long-term cyclic thermal storage and heat-charging kinetics of Fe-substituted manganese oxide for use in thermochemical energy storage at temperatures exceeding 550 °C in a next-generation concentrated solar power system in which a gas stream containing oxygen is used for reversible thermochemical processes. The Fe-substituted Mn2O3 was evaluated from the viewpoint of its microstructural characteristics, thermodynamic phase transitions, and long-term cycling stability. A kinetic analysis of the heat-charging mode was performed at different heating rates to formulate the kinetic equation and describe the reaction mechanism by determining the appropriate reaction model. Finally, the kinetics data for the sample obtained after the long-term cycling test were compared and evaluated with those of the as-prepared sample and kinetic literature data tested under different conditions. For the long-term cycled sample, the Avrami–Erofeev reaction model (An) with n = 2 describes the behavior of the first part of the charging mode, whereas the contracting area (R2) reaction model best fits the last half of the charging mode. For the as-prepared sample, except for the early stage of the charging mode (fractional conversion < 0.2), the contracting volume (R3) reaction model fits the charging mode over a fractional conversion range of 0.2–1.0 and the first-order (F1) reaction model fits in the fractional conversion range of 0.4–1.0. The predicted kinetic equations for both the samples were in good agreement with the experimental kinetic data.

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Zhao, Wei, Xinglian Yang, Jingying Wang, Yongkang Zheng, and Yue Zhou. "Evaluation of Thermodynamic and Chemical Kinetic Models for Hypersonic and High-Temperature Flow Simulation." Applied Sciences 13, no. 17 (2023): 9991. http://dx.doi.org/10.3390/app13179991.

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Significant thermochemical nonequilibrium effects always exist in the flow field around hypersonic vehicle at extreme flight condition. Previous studies have proposed various thermodynamic and chemical kinetic models to describe the thermochemical nonequilibrium processes in hypersonic and high-temperature flow. However, different selections from such models might lead to remarkable variations in computational burden and prediction accuracy, which is still a matter of being unclear. In the present study, different commonly studied models for calculating the thermochemical nonequilibrium are systematically evaluated. The 5-, 7- and 11-species chemical kinetic models of Dunn-Kang, Gupta and Park together with the one- and two-temperature models are employed respectively to simulate the hypersonic flows over a standard cylinder with the radius of 1 m by HyFLOW, which is a commercial software based on the numerical solution of Navier-Stokes equations. Three flight conditions of FIRE Ⅱ classical flight trajectory are employed in the study. It shows that the differences between the results of the Dunn-Kang, Gupta and Park chemical kinetic models with the same number of species are small, but the Gupta model predicts the most conservative values of the wall heat flux. When only the order of magnitude and distribution trends of the pressure and wall heat flux are concerned, the one-temperature model combined with 5-species chemical reaction model can be used for a rapid prediction. While the accurate flow solution is required, the two-temperature model conjugated with Gupta 11-species model is recommended, especially at the conditions of extremely high altitude and Mach number.

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Aworanti, Oluwafunmilayo Abiola, Oluseye Omotoso Agbede, Samuel Enahoro Agarry, et al. "Decoding Anaerobic Digestion: A Holistic Analysis of Biomass Waste Technology, Process Kinetics, and Operational Variables." Energies 16, no. 8 (2023): 3378. http://dx.doi.org/10.3390/en16083378.

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The continual generation and discharge of waste are currently considered two of the main environmental problems worldwide. There are several waste management options that can be applied, though anaerobic digestion (AD) process technology seems to be one of the best, most reliable, and feasible technological options that have attracted remarkable attention due to its benefits, including the generation of renewable energy in the form of biogas and biomethane. There is a large amount of literature available on AD; however, with the continuous, progressive, and innovative technological development and implementation, as well as the inclusion of increasingly complex systems, it is necessary to update current knowledge on AD process technologies, process variables and their role on AD performance, and the kinetic models that are most commonly used to describe the process-reaction kinetics. This paper, therefore, reviewed the AD process technologies for treating or processing organic biomass waste with regard to its classification, the mechanisms involved in the process, process variables that affect the performance, and the process kinetics. Gazing into the future, research studies on reduced MS-AD operational cost, integrated or hybrid AD-biorefinery technology, integrated or hybrid AD-thermochemical process, novel thermochemical reactor development, nutrient recovery from integrated AD-thermochemical process, and solid and liquid residual disposal techniques are more likely to receive increased attention for AD process technology of biomass wastes.

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Ferracci, Valerio, and David M. Rowley. "Kinetic and thermochemical studies of the ClO + ClO + M ⇄ Cl2O2 + M reaction." Physical Chemistry Chemical Physics 12, no. 37 (2010): 11596. http://dx.doi.org/10.1039/c0cp00308e.

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Teses / dissertações sobre o assunto "Thermochemical and kinetic studies"

Khan, Mohammad A. "Thermochemical kinetic studies of organic peroxides relevant to the combustion of hydrocarbons." Thesis, University of Aberdeen, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.290241.

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In the combustion of fuels and related organic compounds the initial step consists of a free radical forming process occurring either homogeneously or heterogeneously, such as RH + O2 → R + HO_2 (1) The radical R, reacts with oxygen to produce an alkyl or other peroxy radical: R + O_2 ↔ RO2 (2) One of the controversies involved in the mechanism for the oxidation of hydrocarbons is the route for the unimolecular decomposition of the hydroperoxy alkyl radical (R-HOOH). This would be produced as a result of the isomerisation of the alkyl peroxy radical (RO2). There are three possible unimolecular paths for R-HOOH together with the addition of oxygen to form hydroperoxy alkyl peroxy radical. This study is concerned with the generation of an alkyl peroxy alkyl radical and its decomposition to both epoxide and olefin formation and at lower temperatures predominantly follows the thermochemically more favourable route. No direct information is available about the rate constants of the two decomposition routes of alkyl peroxyalkyl/hydroperoxy alkyl radicals. There are different ways to find out the rate constants for the decomposition of alkyl peroxy alkyl/hydroperoxy alkyl radical to olefin and oxirane. One such way was a study of the gas phase, hydrogen chloride catalysed decomposition of di-t-butyl peroxide. A surrogate hydroperoxy alkyl radical was generated via this study and the most favourable route for the decomposition of dtBP-H is confirmed. Again, on thermochemical grounds, the formation of isobutene oxide predominates over the formation of isobutene. The modelling of this study assisted considerably in choosing the reaction steps for a probable mechanism and in the assessment of rate parameters for the individual steps. A bonafide hydroperoxy alkyl radical was generated via the study of the sensitized decomposition of t-butyl hydroperoxide in an uncoated, coated reaction vessel and also in the presence of oxygen. The Arrhenius parameters for the ratio of the rate of formation of isobutene to isobutene oxide was observed experimentally, and are in good agreement with the estimated values in the coated reaction vessel but in uncoated and in the presence of oxygen, this ratio is nearly doubled which suggests that isobutene is formed heterogeneously and surface played an important role. In order to observe the effect of surface: volume ratio on product formation, this system was studied in four different coated reaction vessels and it was concluded that the surface effect was negligible on a coated spherical reaction vessel. The bond dissociation energy DHo(RO-OH) in alkyl hydroperoxides, is important because the value of the rate constant is critical to cool flames production. The pyrolysis of t-butyl hydroperoxide was carried out, in a bath of isobutane in order to isolate the tBuO-OH bond breaking step. Acetone formation constituted a direct measure of the rate of decomposition of t-butyl hydroperoxide. The O-O bond dissociation energy was found experimentally, which is in good agreement with other group workers values.

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Davies, Joanne Wendy. "Studies of gas-phase radical reactions." Thesis, University of Oxford, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.329952.

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Stewart, Paul Hendry. "Theoretical and experimental studies of unimolecular reactions relevant to combustion and the atmosphere." Thesis, University of Aberdeen, 1986. http://digitool.abdn.ac.uk/R?func=search-advanced-go&find_code1=WSN&request1=AAIU366734.

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The pyrolysis of methyl nitrite (1 torr) in the presence of nitrogen dioxide (1 torr) was studied at 458K over the pressure range 0-760 torr of carbon tetrafluoride. The only detectable products were methyl nitrate and formaldehyde. The decomposition can be described by the following simple mechanism: CH₃ONO + M → CH₃O + NO + M (1); CH₃O + NO₂ → CH₃ONO₂ (2); CH₃O + NO₂ → HCHO + HONO (3). Step (1) was found to be stongly pressure dependent with a P½ value of 760 torr. The rate constant for decomposition k₁ was found from RRKM modelling to be given by the following expression: log (k₁/s⁻¹) = 15.89 - 8879/T. The ratio k₃/k₂ was determined over the pressure range and was also found to be pressure dependent. This was attributed to the pressure dependence of step (2). Estimates were also made for the ratio of disproportionation to combination for the reaction between nitric oxide and the methoxy radical. This ratio was also found to be strongly pressure dependent. The pyrolysis of perfluoroazo-2-propane, PAP, (25 torr) was studied over the temperature range 450-514K. The products were nitrogen and perfluorohexane, PFH, which were produced in equal amounts. The production of nitrogen was found to be first order with respect to the azo compound. First order kinetics were observed even for extents of reaction exceeding 60%. No surface effects were observed. The reaction was pressure independent. i-C₃F₇N²i-C₃F₇ → i-C₃F₇N₂ + i-C₃F₇ (4). The rate constant for decomposition, k₄, was found to be given by the following expression: log(k₄) = 16.74 - 9856/T. The pyrolysis of formaldehyde (4-10 torr) was studied using a static system over the temperature range 705-773K and 150-760 torr of carbon dioxide. Methane (4-10 torr) was used as an inert marker. Preliminary experiments showed that methane did not decompose under these experimental conditions. The only measurable products were hydrogen and carbon monoxide. No pressure dependence was observed, even at the highest temperatures studied. The rate of formation of products was found to be 1.04 ± 0.05 with respect to formaldehyde. From this the reaction was taken to be first order. The addition of small concentrations of toluene was found to markedly reduce the rate of formation of products. There did not appear to be any surface effects, indicating that the reaction was homogeneous.

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Fiagome, Elizabeth Delanyo. "Thermochemical studies of some iodates." Thesis, Teesside University, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.387140.

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Chatre, Lucas. "Étude et modélisation des phénomènes de transport et réactionnels dans un four à vis." Electronic Thesis or Diss., université Paris-Saclay, 2024. http://www.theses.fr/2024UPASB034.

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Les convoyeurs à vis sont très largement utilisés dans l'industrie chimique. Du fait de leur capacité de mélange et de transport, ils sont mis en œuvre pour différentes applications (convoyage, séchage, pyrolyse, etc.). Cette technologie se voit ainsi utilisée dans le retraitement de matière nucléaire, notamment pour stabiliser des oxalates de plutonium en oxyde. De nombreuses études ont été menées à l'échelle du laboratoire afin d'établir précisément les mécanismes réactionnels par analyse thermogravimétrique (ATG) et les propriétés physico-chimiques des espèces mises en jeu. Il s'agit de réactions de décomposition thermique de chaînes carbonées couplées en phase hétérogène (réactions solide/gaz). Dans un four à vis, les phénomènes de transfert de chaleur, de matière et de quantité de mouvement peuvent significativement modifier la vitesse de réaction apparente et par conséquent l'avancement de la calcination. L'objectif de ce travail est d'améliorer un outil de simulation phénoménologique, permettant de transposer vers les plus grandes échelles les résultats des études menées en ATG sur de petites quantités de poudre supposées uniformes à chaque instant en composition et en température. Ce travail est réalisé en uranium, utilisé comme simulant du plutonium.L'outil de simulation est basé sur un modèle compartimenté, lié à l'hydrodynamique des poudres dans le réacteur. Ainsi, une majeure partie de la thèse se focalise sur l'écoulement à l'échelle globale et locale. Pour le mélange global, le point de débordement, caractérisant le changement de régime hydrodynamique, a été identifié. La Distribution des Temps de Séjour (DTS) a également été mesurée. Des modèles adimensionnels ont été élaborés pour prédire à la fois le point de débordement et la forme de la DTS. Pour le mélange local, deux études expérimentales ont été menées, en utilisant un système optique et des outils de traitement d'images. La première s'est intéressée au renouvellement de la surface du lit de poudre et la seconde au renouvellement des particules dans l'entrefer vis-tube. Ces études hydrodynamiques permettent de mieux comprendre et donc modéliser, respectivement les interactions gaz/solide et solide/paroi. Des modèles adimensionnels ont été développés pour prédire ces paramètres caractéristiques. Enfin, l'écoulement des poudres a pu être étudié en détail grâce à la modélisation de la rhéologie par mécanique des fluides numériques (CFD). En premier lieu, le modèle d'écoulement et ses paramètres ont été calibrés à partir de mesures expérimentales obtenues dans un tambour tournant ; appareil de géométrie plus simple et où la dynamique des poudres est similaire à celle observée dans un convoyeur à vis. Ce modèle a par la suite été confronté avec succès aux mesures expérimentales réalisées sur les maquettes à l'échelle pilote. Au final, le modèle a pu fournir des informations sur des données difficilement accessibles expérimentalement au sein d'un convoyeur à vis, comme l'épaisseur de la surface active ou les vitesses d'écoulement à l'intérieur de la poudre.Des études en ATG couplée à une analyse de calorimétrie différentielle à balayage (ATG/DSC) ont été menées afin d'obtenir des données cinétiques et thermochimiques robustes sur la calcination de l'oxalate d'uranium sous atmosphère oxydante et inerte, ainsi que sur la conversion de l'UO2 en U3O8. Enfin, les signaux ATG obtenus expérimentalement ont pu être modélisés, validant les paramètres cinétiques.L'outil de simulation du four à vis a été amélioré grâce à une meilleure représentation des phénomènes ayant lieu dans ce type de réacteur pendant la calcination de l'oxalate d'uranium. Ces améliorations permettent d'avoir accès aux différents profils de température et de concentration de toutes les espèces dans différentes zones prédéfinies. L'outil de simulation est capable de prédire des données expérimentales mesurées sur le four à vis pilote Screw conveyors are widely used in the chemical industry. Thanks to their mixing and transport capacity, they are used for a variety of applications (conveying, drying, pyrolysis, etc.). This technology is also used in the reprocessing of nuclear materials, in particular to stabilise plutonium oxalates into oxides. Numerous studies have been carried out on a laboratory scale to establish precisely the reaction mechanisms using thermogravimetric analysis (TGA) and the physico-chemical properties of the species involved. The reactions involved are thermal decomposition of coupled carbon chains in a heterogeneous phase (solid/gas reactions). In a screw kiln reactor, heat, mass and momentum transfer phenomena can significantly modify the apparent reaction rate and consequently the progress of the calcination. The aim of this work is to improve a phenomenological simulation tool, enabling the transposition to larger scales the results of studies carried out in TGA on small quantities of powder assumed to be uniform in composition and temperature at all times. This work is carried out in uranium, used as a simulant for plutonium.The simulation tool is based on a compartment model, linked to the hydrodynamics of the powders in the reactor. Thus, a major part of the thesis focuses on the flow at the global and local scales. With regard to global mixing, the overflow point, which characterises the change in hydrodynamic regime, has been identified. The Residence Time Distribution (RTD) was also measured. Dimensionless models were developed to predict both the overflow point and the shape of the RTD. Concerning the local mixing, two experimental studies were carried out, using an optical system and image processing tools. The first one looked at the renewal of the surface of the powder bed, while the second one at the renewal of the particles within the screw-tube clearance. These hydrodynamic studies will allow a better understanding and a modeling of gas/solid and solid/wall interactions respectively. Dimensionless models have been developed to predict these characteristic parameters. Finally, the powder flow was studied in detail by modelling the rheology using Computational Fluid Dynamics (CFD). First, the flow model and its parameters were calibrated using experimental measurements obtained in a rotating drum, a device with a simpler geometry and where the powder dynamics are similar to those observed in a screw conveyor. This model was then successfully compared with the experimental measurements carried out on the pilot-scale models. In the end, the model was able to provide information on data that is difficult to access experimentally within a screw conveyor, such as the thickness of the active layer or the flow velocities within the powder.TGA coupled with differential scanning calorimetry (TGA/DSC) studies were carried out to obtain robust kinetic and thermochemical data on the calcination of uranium oxalate in an oxidising and inert atmosphere, as well as on the conversion of UO2 to U3O8. Finally, the TGA signals obtained experimentally were modeled to validate the kinetic parameters.The screw kiln reactor simulation tool has been improved with a better representation of the phenomena taking place during the calcination of uranium oxalate in such apparatus. These improvements give access to the different temperature and concentration profiles of all the species in different predefined zones. The simulation tool is capable of predicting experimental data measured on the pilot screw kiln reactor

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Aubry, Christiane. "Thermochemical and mass spectrometric studies of gas phase ions." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp04/nq26103.pdf.

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Huynh, Kathy Tang. "Gas-Phase Thermochemical Properties of Proline-Containing Dipeptides and Fluorinated Alcohols using the Extended Kinetic Method." W&M ScholarWorks, 2016. https://scholarworks.wm.edu/etd/1539626981.

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Dasopoulos, P. "Thermochemical studies of siliceous zeolites for vapour phase adsorption processes." Thesis, University of Surrey, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.374206.

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Hall, I. W. "Kinetic studies of atmospheric reactions." Thesis, University of Oxford, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.236263.

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Hindmarsh, Kathryn. "Kinetic studies of platinum complexes." Thesis, University of Canterbury. Chemistry, 1998. http://hdl.handle.net/10092/8647.

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Since the chance discovery, in 1967, of the anti-tumour activity of cisplatin, cis-dichlorodiammineplatinum(II), research has focussed on studying the reactions of this and other related complexes in an effort to elucidate the nature of the biological activity. This thesis presents a study of the aqueous solution chemistry of some platinum(II) and platinum(IV) complexes in order to extend what is known about the simple chemistry of this biologically important class of compounds. The chloride ion anation of diaqua (cis-[Pt(OH₂)₂(N)₂]²⁺) complexes is investigated as is the bromide ion anation of the bromoaqua (cis-[PtBr(OH₂)(N)₂]⁺) and diaqua (cis-[Pt(OH₂)₂(N)₂]²⁺) species, all in 1.0 M HC1O₄. The kinetics are studied using UV/Vis spectroscopic methods - both conventional and stopped-flow. High-pressure stopped-flow is used for selected reactions to determine the effect of pressure on the anation process. The collective data are used to calculate activation parameters from which conclusions are drawn as to the mechanism of the reaction. The redox kinetics of the platinum(II)/platinum(IV) couple are investigated using a variety of redox agents. These data provide a basis on which to form mechanistic interpretations for both the oxidation and reduction processes. Extrapolations are made to the biological system for the reduction of anti-tumour active platinum(IV) drugs. Platinum(IV) complexes are known to be very inert. An investigation into the base hydrolysis of platinum(IV) complexes is presented and a mechanism proposed.

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Livros sobre o assunto "Thermochemical and kinetic studies"

F, Burgess D. R., and National Institute of Standards and Technology (U.S.), eds. Thermochemical and chemical kinetic data for fluorinated hydrocarbons. U.S. Dept. of Commerce, Technology Administration, National Institute of Standards and Technology, 1995.

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Wojciechowski, Bohdan W. Experimental methods in kinetic studies. M.J. Wojciechowski, 2001.

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Frost, Michael James. Kinetic studies of radical association reactions. University of Birmingham, 1989.

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Gharibi, Hussein. Electrochemical and kinetic studies in surfactant solutions. University of Salford, 1990.

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Mandani, Faisal Mohammad. Kinetic and deactivation studies during catalytic dehydrogenation. University of Salford, 1991.

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Lukas, Timothy Michael. Kinetic and equilibrium studies of some surfactant systems. University of Salford, 1991.

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Stocker, David William. Kinetic and mechanistic studies of elementary atmospheric reactions. University of Birmingham, 1985.

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Darwen, Stuart. Synthetic and kinetic studies on some aryl azides. University of Salford, 1989.

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Capítulos de livros sobre o assunto "Thermochemical and kinetic studies"

Sarkar, Aparna, Sudip De Sarkar, Michael Langanki, and Ranjana Chowdhury. "Studies on Pyrolysis Kinetic of Newspaper Wastes in a Packed Bed Reactor: Experiments, Modeling, and Product Characterization." In Thermochemical Waste Treatment. Apple Academic Press, 2017. http://dx.doi.org/10.1201/b19983-15.

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Markussen, Jan. "Kinetic studies." In Human Insulin by Tryptic Transpeptidations of Porcine Insulin and Biosynthetic Precursors. Springer Netherlands, 1987. http://dx.doi.org/10.1007/978-94-009-3187-9_6.

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Sun, Jing, Wenlong Wang, Zhen Liu, Qingluan Ma, Chao Zhao, and Chunyuan Ma. "Kinetic Study of the Pyrolysis of Waste Printed Circuit Board Subject to Conventional and Microwave Heating." In Thermochemical Waste Treatment. Apple Academic Press, 2017. http://dx.doi.org/10.1201/b19983-14.

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Scheer, Milton D. "A Kinetic Isotope Effect in the Thermal Dehydration of Cellobiose." In Fundamentals of Thermochemical Biomass Conversion. Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-009-4932-4_5.

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Landau, Ralph N., Cristian Libanati, and Michael T. Klein. "Monte Carlo Simulation of Lignin Pyrolysis: Sensitivity to Kinetic Parameters." In Research in Thermochemical Biomass Conversion. Springer Netherlands, 1988. http://dx.doi.org/10.1007/978-94-009-2737-7_34.

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Maschio, Giuseppe, Aldo Lucchesi, and Charalambos Koufopanos. "Study of Kinetic and Transfer Phenomena in the Pyrolysis of Biomass Particles." In Advances in Thermochemical Biomass Conversion. Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1336-6_58.

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Zachariah, M. R., P. R. Westmoreland, D. R. F. Burgess, Wing Tsang, and C. F. Melius. "Theoretical Prediction of Thermochemical and Kinetic Properties of Fluorocarbons." In ACS Symposium Series. American Chemical Society, 1997. http://dx.doi.org/10.1021/bk-1995-0611.ch027.

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Pavlath, Attila E., and Kay S. Gregorski. "Thermoanalytical Studies of Carbohydrate Pyrolysis." In Fundamentals of Thermochemical Biomass Conversion. Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-009-4932-4_25.

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Tang, Guangwen. "Kinetic Studies with Carotenoids." In Carotenoids and Human Health. Humana Press, 2012. http://dx.doi.org/10.1007/978-1-62703-203-2_5.

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Magnaterra, M., J. R. Fusco, J. Ochoa, and A. L. Cukierman. "Kinetic Study of the Reaction of Different Hardwood Sawdust Chars with Oxygen. Chemical and Structural Characterization of the Samples." In Advances in Thermochemical Biomass Conversion. Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1336-6_10.

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Trabalhos de conferências sobre o assunto "Thermochemical and kinetic studies"

Sun, L., Z. Dai, and M. Xu. "Studies on kinetic characteristics of thermal emission-driven atmospheric microarc discharge." In 2024 IEEE International Conference on Plasma Science (ICOPS). IEEE, 2024. http://dx.doi.org/10.1109/icops58192.2024.10626517.

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Durocher, Antoine, Gilles Bourque, and Jeffrey M. Bergthorson. "Quantifying the Effect of Kinetic Uncertainties on NO Predictions at Engine-Relevant Pressures in Premixed Methane-Air Flames." In ASME Turbo Expo 2019: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/gt2019-90486.

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Abstract Accurate and robust thermochemical models are required to identify future low-NOx technologies that can meet the increasingly stringent emissions regulations in the gas turbine industry. These mechanisms are generally optimized and validated for specific ranges of operating conditions, which result in an abundance of models offering accurate nominal solutions over different parameter ranges. At atmospheric conditions, and for methane combustion, a relatively good agreement between models and experiments is currently observed. At engine-relevant pressures, however, a large variability in predictions is obtained as the models are often used outside their validation region. The high levels of uncertainty found in chemical kinetic rates enable such discrepancies between models, even as the reactions are within recommended rate values. The current work investigates the effect of such kinetic uncertainties in NO predictions by propagating the uncertainties of 30 reactions, that are both uncertain and important to NO formation, through the combustion model at engine-relevant pressures. Understanding the uncertainty sources in model predictions and their effect on emissions at these pressures is key in developing accurate thermochemical models to design future combustion chambers with any confidence. Lean adiabatic, freely-propagating, laminar flames are therefore chosen to study the effect of parametric kinetic uncertainties. A non-intrusive, level 2, nested sparse-grid approach is used to obtain accurate surrogate models to quantify NO prediction intervals at various pressures. The forward analysis is carried up to 32 atm to quantify the uncertainty in emissions predictions to pressures relevant to the gas turbine community, which reveals that the NO prediction uncertainty decreases with pressure. After performing a Reaction Pathway Analysis, this reduction is attributed to the decreasing contribution of the prompt-NO pathway to total emissions, as the peak CH concentration and the CH layer thickness decrease with pressure. In the studied lean condition, the contribution of the pressure-dependent N2O production route increases rapidly up to 10 atm before stabilizing towards engine-relevant pressures. The uncertain prediction ranges provide insight into the accuracy and precision of simulations at high pressures and warrant further research to constrain the uncertainty limits of kinetic rates to capture NO concentrations with confidence in early design phases.

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Gomez, Judith C., Robert Tirawat, and Edgar E. Vidal. "Hot Corrosion Studies Using Electrochemical Techniques of Alloys in a Chloride Molten Salt (NaCl-LiCl) at 650°C." In ASME 2014 8th International Conference on Energy Sustainability collocated with the ASME 2014 12th International Conference on Fuel Cell Science, Engineering and Technology. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/es2014-6739.

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Next-generation solar power conversion systems in concentrating solar power (CSP) applications require high-temperature advanced fluids in the range of 600° to 900°C. Molten salts are good candidates for CSP applications, but they are generally very corrosive to common alloys used in vessels, heat exchangers, and piping at these elevated temperatures. The majority of the molten-salt corrosion evaluations for sulfates with chlorides and some vanadium compounds have been performed for waste incinerators, gas turbine engines, and electric power generation (steam-generating equipment) applications for different materials and molten-salt systems. The majority of the molten-salt corrosion kinetic models under isothermal and thermal cyclic conditions have been established using the weight-loss method and metallographic cross-section analyses. Electrochemical techniques for molten salts have not been employed for CSP applications in the past. Recently, these techniques have been used for a better understanding of the fundamentals behind the hot corrosion mechanisms for thin-film molten salts in gas turbine engines and electric power generation. The chemical (or electrochemical) reactions and transport modes are complex for hot corrosion in systems involving multi-component alloys and salts; but some insight can be gained through thermochemical models to identify major reactions. Electrochemical evaluations were performed on 310SS and In800H in the molten eutectic NaCl-LiCl at 650°C using an open current potential followed by a potentiodynamic polarization sweep. Corrosion rates were determined using Tafel slopes and the Faraday law. The corrosion current density and the corrosion potentials using Pt wire as the reference electrode are reported.

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Al-Raqom, F., J. F. Klausner, D. Hahn, J. Petrasch, and S. A. Sherif. "High Temperature Fluidized Bed Reactor Kinetics With Sintering Inhibitors for Iron Oxidation." In ASME 2011 International Mechanical Engineering Congress and Exposition. ASMEDC, 2011. http://dx.doi.org/10.1115/imece2011-62808.

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High purity hydrogen is produced through a thermochemical water splitting process that utilizes iron reduction-oxidation (redox) reactions. An iron powder bed is fluidized to improve heat and mass transfer thus improving the reaction kinetics. Inert additives which act as sintering inhibitors, such as silica (SiO2) and zirconia (ZrO2), are added to the iron powder, and their effectiveness in inhibiting sintering in the oxidation step is evaluated. The influence of particle size, composition, mass fraction and bed temperature on reaction kinetics is investigated. Incorporation of zirconia in the powder bed is done by mixing it with iron powder or by coating the iron particles with a mixture of 1–3 μm and 44 μm zirconia particles. Two different batches of silica are used for blending with iron powder. The silica powder batches include particle diameters ranging from 0–45 μm and 200–300 μm. The mixing ratios of silica to iron are 0.33, 0.5, 0.67 and 0.75 by apparent volume. Experimental studies are conducted in a bench scale experimental fluidized bed reactor at bed temperatures of 450, 550, 650, 750 and 850 °C. It is verified that increasing the bed temperature and the steam residence time increases the hydrogen yield. Increasing the iron particle size reduces the specific surface area and reduces the hydrogen yield. It has been found that sintering can be completely inhibited by mixing iron with 0–45 μm silica powder and maintaining the reaction temperature below 650 °C.

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Jella, Sandeep, Gilles Bourque, Pierre Gauthier, et al. "Analysis of Autoignition Chemistry in Aeroderivative Premixers at Engine Conditions." In ASME Turbo Expo 2020: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/gt2020-15697.

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Abstract The minimization of autoignition risk is critical to the design of premixers of high power aeroderivative gas turbines as an increased use of highly reactive future fuels (for example, hydrogen or higher hydrocarbons) is anticipated. Safety factors based on ignition delays of homogeneous mixtures, are generally used to guide the choice of a residence time for a given premixer. However, autoignition chemistry at aeroderivative conditions is fast (0.5–2 milliseconds) and can be initiated within typical premixer residence times. The analysis of what takes place in this short period necessarily involves the study of low-temperature autoignition precursor chemistry, but precursors can change with fuel and local reactivity. Chemical Explosive Modes are a natural alternative to study this as they can provide a measure of autoignition risk by considering the whole thermochemical state in the framework of an eigenvalue problem. When transport effects are included by coupling the evolution of the Chemical Explosive Modes to turbulence, it is possible to obtain a measure of spatial autoignition risk where both chemical (e.g. ignition delay) and aerodynamic (e.g. local residence time) influences are unified. In this article, we describe a method that couples Large Eddy Simulation to newly developed, reduced autoignition chemical kinetics to study autoignition precursors in an example pre-mixer representative of real life geometric complexity. A blend of pure methane and dimethyl ether (DME), a common fuel used for experimental autoignition studies, was transported using the reduced mechanism (38 species / 238 reactions) at engine conditions at increasing levels of DME concentration until exothermic autoignition kernels were formed. The resolution of species profiles was ensured by using a thickened flame model where dynamic thickening was carried out with a flame sensor modified to work with multi-stage heat release. The paper is outlined as follows: First, a reduced mechanism is constructed and validated for modeling methane as well as di-methyl ether (DME) autoignition. Second, sensitivity analysis is used to show the need for Chemical Explosive Modes. Third, the thickened flame model modifications are described and then applied to an example premixer at 25 bar / 890K preheat. The Chemical Explosive Mode analysis closely follows the large thermochemical changes in the premixer as a function of DME concentration and identifies where the premixer is sensitive and flame anchoring is likely to occur.

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Losev, Staly, Vladimir Makarov, and Vladimir Nikolsky. "Thermochemical nonequilibrium kinetic models in strong shock waves on air." In 6th Joint Thermophysics and Heat Transfer Conference. American Institute of Aeronautics and Astronautics, 1994. http://dx.doi.org/10.2514/6.1994-1990.

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Bellan, Selvan, Cristina Cerpa Saurez, Jose Gonzalez-Aguilar, and Manuel Romero. "Numerical Study of a Beam-Down Solar Thermochemical Reactor for Chemical Kinetics Analysis." In ASME 2014 8th International Conference on Energy Sustainability collocated with the ASME 2014 12th International Conference on Fuel Cell Science, Engineering and Technology. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/es2014-6573.

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A lab-scale solar thermochemical reactor is designed and fabricated to study the thermal reduction of non-volatile metal oxides, which operates simultaneously as solar collector and as chemical reactor. The main purpose of this reactor is to achieve the first step in two-step thermochemical cycles. The chemical conversion rate strongly depends on the temperature and fluid flow distribution around the reactant, which are determined by the reactor geometry. The optimal design depends on the constraints of the problem and on the operating parameters. Hence, the objective of this investigation is to analyze the heat and mass transfer in the vertically-oriented chemical reactor by a CFD model and to optimize the reactor design. The developed numerical model is validated by comparing the simulation results with reported model. The influence of different technical and operating parameters on the temperature distribution and the fluid flow of the reactor are studied.

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Fan, Jing, Quanhua Sun, Jane W. Z. Lu, Andrew Y. T. Leung, Vai Pan Iu, and Kai Meng Mok. "Kinetic Studies of Gas Flows." In PROCEEDINGS OF THE 2ND INTERNATIONAL SYMPOSIUM ON COMPUTATIONAL MECHANICS AND THE 12TH INTERNATIONAL CONFERENCE ON THE ENHANCEMENT AND PROMOTION OF COMPUTATIONAL METHODS IN ENGINEERING AND SCIENCE. AIP, 2010. http://dx.doi.org/10.1063/1.3452170.

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Naik, Chitralkumar V., Karthik V. Puduppakkam, and Ellen Meeks. "An Improved Core Reaction Mechanism for C0-C4 Unsaturated Fuels and C0-C4 Fuel Blends." In ASME Turbo Expo 2012: Turbine Technical Conference and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/gt2012-68722.

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Simulation of the combustion of fuels used in transportation and energy applications requires accurate chemistry representation of the fuel. Surrogate fuels are typically used to represent liquid fuels, such as gasoline, diesel or jet fuel, where the surrogate contains a handful of components. For gaseous fuels, surrogates are effectively used as well, where methane may be used to represent natural gas, for example. An accurate chemistry model of a surrogate fuel means a detailed reaction mechanism that contains the kinetics of all the molecular components of the fuel model. Since large hydrocarbons break down to smaller molecules during combustion, the core chemistry of C0 to C4 carbon number is critical to all such fuel models, whether gaseous or liquid. The usual method of assessing how accurate the fuel chemistry is involves modeling of fundamental combustion experiments, where the experimental conditions are well enough defined and well enough represented by the reacting-flow model to isolate the kinetics in comparisons between predictions and data. In the work reported here, we have been focused on developing a more comprehensive and accurate core (C0−C4) mechanism. Recently, we revisited the core mechanism to improve predictions of the pure saturated components (J Eng. Gas Turbines Power (2012) 134; doi:10.1115/1.4004388). In the current work, we focused on combustion of unsaturated C0−C4 fuel components and on the blends of C0−C4 fuels, including saturated components. The aim has been to improve predictions for the widest range of fundamental experiments as possible, while maintaining the accuracy achieved by the existing mechanism and the previous study of saturated components. In the validation, we considered experimental measurements of ignition delay, flame speed and extinction strain rate, as well as species composition in stirred reactors, flames and flow reactors. These experiments cover a wide range of temperatures, fuel-air ratios, and pressures. As in the previous work for saturated compounds, we examined uncertainties in the core reaction mechanism; including thermochemical parameters derived from a wide variety of sources, including experimental measurements, ab initio calculations, estimation methods and systematic optimization studies. Using sensitivity analysis, reaction-path analysis, consideration of recent focused studies of individual reactions, and an enforcement of data consistency, we have identified key updates required for the core mechanism. These updates resulted in improvements to predictions of results, as validated through comparison with experiments, for all the fuels considered, while maintaining the accuracy previously reported for the saturated C0−C4 components. Rate constants that were modified to improve predictions for a small number of reactions remain within expected uncertainty bounds.

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Gifford, Jeffrey, Patrick Davenport, Zhiwen Ma, Janna Martinek, Craig Turchi, and Jeffrey G. Weissman. "Analysis of Planar-Cavity Receiver Reactor for Solar Thermochemical Dry-Reforming." In ASME 2019 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/imece2019-10637.

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Abstract Concentrating solar thermal (CST) systems can be leveraged to provide not only heat for power generation, but also for energy storage and thermochemical fuel production. Such solar thermochemical processes have been studied conceptually, from solar thermochemical hydrogen production (STCH) and thermochemical energy storage (TCES), to gasification, reforming, and fuel upgrading by various means. The solar receiver and reactor are critical components in the conversion of solar energy into chemical energy in the form of “solar fuels’. For effective conversion of solar energy within a coupled solar receiver-reactor, extremely high temperatures are required, thereby demanding a high solar concentration ratio (CR) for efficient operation. This creates a design challenge for the receiver-reactor, as many thermochemical processes involve gas or gas-solid systems that are limited by low heat transfer coefficients. A unique receiver design is proposed that has the potential to incorporate various high-temperature thermochemical processes such as TCES-assisted power generation, methane reforming, or STCH processes. Modeling this receiver and its potential applications requires a full three-dimensional model that accurately captures the interconnected effects of receiver geometry, spatial solar irradiance, complex radiation, reaction kinetics, fluid dynamics, and heat transfer. In this paper we analyze a CST system integrated with this unique planar-cavity receiver-reactor design using the developed model. The model presented in this paper showed where improved thermal management was needed to achieve suitable receiver performance when a dry-methane reforming process is implemented.

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Relatórios de organizações sobre o assunto "Thermochemical and kinetic studies"

Dodoo, J. N. D. Structure and thermochemical kinetic studies of coal pyrolysis. Office of Scientific and Technical Information (OSTI), 1991. http://dx.doi.org/10.2172/5602422.

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Dodoo, J. N. D. Structure and thermochemical kinetic studies of coal pyrolysis. Office of Scientific and Technical Information (OSTI), 1991. http://dx.doi.org/10.2172/6224612.

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Dodoo, J. N. D., and M. Hetzberg. Structure and thermochemical kinetic studies of coal pyrolysis. Final technical report. Office of Scientific and Technical Information (OSTI), 1994. http://dx.doi.org/10.2172/49117.

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Dodoo, J. N. D. Structure and thermochemical kinetic studies of coal pyrolysis. Quarterly technical progress report, October 1--December 31, 1991. Office of Scientific and Technical Information (OSTI), 1991. http://dx.doi.org/10.2172/10138920.

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Yarbrough, W. A. Thermochemical and Kinetic Considerations in Diamond Growth. Defense Technical Information Center, 1992. http://dx.doi.org/10.21236/ada247866.

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Burgess, Donald R. F. Thermochemical and chemical kinetic data for fluorinated hydrocarbons. National Bureau of Standards, 1995. http://dx.doi.org/10.6028/nist.tn.1412.

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Barnes, M. J. Cesium Precipitation Kinetic Studies. Office of Scientific and Technical Information (OSTI), 1998. http://dx.doi.org/10.2172/4874.

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Tang, W. M. Kinetic studies of anomalous transport. Office of Scientific and Technical Information (OSTI), 1990. http://dx.doi.org/10.2172/6329720.

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Keto, J. W. Kinetic studies following state-selective laser excitation. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/5747549.

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Lempert, Walter R., and Igor V. Adamovich. Kinetic Studies of Nonequilibrium Plasma-Assisted Combustion. Defense Technical Information Center, 2010. http://dx.doi.org/10.21236/ada524301.

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