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Rozprawy doktorskie na temat „Chemical kinetics”

Autor: Grafiati

Data publikacji: 4 czerwca 2021

Data aktualizacji: 25 lipca 2025

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1

Heard, Dwayne Ellis. "Laser studies of chemical kinetics." Thesis, University of Oxford, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.258025.

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2

Kononova, Anna. "Memetic computing in chemical kinetics." Thesis, University of Leeds, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.531526.

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3

Biasca, Rodger Joseph. "Chemical kinetics of SCRAMJET propulsion." Thesis, Massachusetts Institute of Technology, 1988. http://hdl.handle.net/1721.1/35949.

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4

Justi, Rosa da Silva. "Models of teaching of chemical kinetics." Thesis, University of Reading, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.388404.

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5

Chen, Tianjiao S. M. Massachusetts Institute of Technology. "Experimental characterization and chemical kinetics study of chemical looping combustion." Thesis, Massachusetts Institute of Technology, 2014. http://hdl.handle.net/1721.1/87957.

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Thesis: S.M., Massachusetts Institute of Technology, Department of Mechanical Engineering, 2014.<br>Cataloged from PDF version of thesis. "February 2014."<br>Includes bibliographical references (pages 106-110).<br>Chemical looping combustion (CLC) is one of the most promising technologies to achieve carbon capture in fossil fuel power generation plants. A novel rotary-bed reactor concept was proposed by Zhao et. al. [1] in 2013. It is a compact gas fueled CLC reactor that could achieve high fuel conversion and carbon separation efficiencies. It is different from the widely applied and tested f

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6

Engblom, Stefan. "Numerical Solution Methods in Stochastic Chemical Kinetics." Doctoral thesis, Uppsala universitet, Avdelningen för teknisk databehandling, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-9342.

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This study is concerned with the numerical solution of certain stochastic models of chemical reactions. Such descriptions have been shown to be useful tools when studying biochemical processes inside living cells where classical deterministic rate equations fail to reproduce actual behavior. The main contribution of this thesis lies in its theoretical and practical investigation of different methods for obtaining numerical solutions to such descriptions. In a preliminary study, a simple but often quite effective approach to the moment closure problem is examined. A more advanced program is the

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7

PAUL, DEBDAS. "Efficient Parameter Inference for Stochastic Chemical Kinetics." Thesis, KTH, Beräkningsbiologi, CB, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-146869.

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Parameter inference for stochastic systems is considered as one of the fundamental classical problems in the domain of computational systems biology. The problem becomes challenging and often analytically intractable with the large number of uncertain parameters. In this scenario, Markov Chain Monte Carlo (MCMC) algorithms have been proved to be highly effective. For a stochastic system, the most accurate description of the kinetics is given by the Chemical Master Equation (CME). Unfortunately, analytical solution of CME is often intractable even for considerably small amount of chemically rea

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8

Tomlin, Alison Sarah. "Bifurcation analysis for non-linear chemical kinetics." Thesis, University of Leeds, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.255345.

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9

Shaw, Rebecca Custis Riehl. "Combining combustion simulations with complex chemical kinetics." Thesis, University of Cambridge, 2013. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.648248.

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10

Poole, Anthony John. "Reaction-diffusion structures in nonlinear chemical kinetics." Thesis, University of Leeds, 1998. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.712528.

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11

Grigsby, Charles Owen 1951. "Kinetics of rock-water reactions." Thesis, Massachusetts Institute of Technology, 1989. http://hdl.handle.net/1721.1/37986.

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12

Shi, Youchun. "A Kinetic Study of the Recombination Reacton Na + SO₂ + Ar." Thesis, University of North Texas, 1990. https://digital.library.unt.edu/ark:/67531/metadc504481/.

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The recombination reaction Na + S02 + Ar was investigated at 787 16 K and at pressures from 1.7 to 80 kPa. NaI vapor was photolyzed by an excimer laser at 308 nm to create Na atoms, whose concentration was monitored by time-resolved resonance absorption at 589 nm. The rate constant at the low pressure limit is ko = (2.7 0.2) x 10-21 cm6 molecule-2 s~1. The Na-SO 2 dissociation energy E0 = 170 35 kJ mol1 was calculated with RRKM theory. The equilibrium constant gave a lower limit E0 > 172 kJ mol~ 1. By combination of these two results, E0 = 190 15 kJ mol~ 1 is obtained. The high pressure limit

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13

Vaidyaraman, Sundar. "Kinetics of the bosch reaction." Thesis, Georgia Institute of Technology, 1992. http://hdl.handle.net/1853/10277.

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14

Thornton, Stephen S. "Design, synthesis, and kinetics of novel acetylcholinesterase inhibitors." Thesis, Georgia Institute of Technology, 1989. http://hdl.handle.net/1853/26964.

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15

Beaulieu-Bergeron, Sebastien. "Intrinsic kinetics of clathrate hydrate formation." Thesis, McGill University, 2009. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=66683.

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The present thesis focuses on the intrinsic kinetics of clathrate hydrate formation to provide the fundamental data and modeling needed to predict hydrate growth. A novel hydrate growth model based on particle size distribution measurements and a concentration driving force was proposed. The reaction rate constant of propane hydrate formation was determined using the aforementioned model. The mole fraction of carbon dioxide and methane in the bulk liquid phase was measured at the onset of hydrate growth and thereafter in a semi-batch stirred tank crystallizer. It was found th

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16

Lungu, Cristian 1968. "Crystallization behavior and kinetics of polyolefins." Thesis, McGill University, 2000. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=31061.

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In order to understand crystallization behavior and to predict polymer resin properties, crystallization kinetics and morphology studies are performed. Thermal analysis of sixteen polyethylene and polypropylene resins was carried out, using Differential Scanning Calorimetry (DSC) to study the crystallization kinetics and mechanism of crystallization. Attention is given to different polyethylene grades, particularly linear low-density polyethylenes (LLDPE) manufactured with Ziegler-Natta and metallocene catalysts. The polymers are obtained with different monomers (1-butene, 1-hexene or 1-octene

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17

Lewis, Randy Stewart. "Nitric oxide kinetics in biological systems." Thesis, Massachusetts Institute of Technology, 1995. http://hdl.handle.net/1721.1/36947.

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18

Sircar, Sanjoy. "Kinetics of gelation in photoreversible gels." Thesis, Massachusetts Institute of Technology, 2011. http://hdl.handle.net/1721.1/62737.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, February 2011.<br>"September 2010." Cataloged from PDF version of thesis.<br>Includes bibliographical references.<br>Smart materials, or materials that respond to some stimulus by changing their properties, make up an active area of research in many fields. Light can be considered an especially attractive choice of stimulus because it can be applied with precise spatial and temporal control, and is non-invasive. This thesis explores light sensitive gels and colloids, which could be used as valves in microflu

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19

Perrman, Delmar. "Nonlinear effects in chemical dynamics and chemical kinetics: Chaos in physical chemistry." Thesis, University of Ottawa (Canada), 1994. http://hdl.handle.net/10393/9500.

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This work shows that nonlinear dynamic systems are quite different from linear dynamic systems. The usual phase plots of linear and nonlinear dynamical systems are also distinctly different, even before damping or forcing terms are added. It is also shown that the usual phase plot allows for the visualization of unobservable information that is present in the times series. The higher-order phase plots give yet additional information that is not present in the existing methods of plotting the data. Higher-order phase plots were originated and applied for the first time to a dynamical system (Mo

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20

Bakhtina, Marina M. "Application of chemical probes to study the kinetic mechanism of DNA polymerases." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1148915981.

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21

Monks, Paul S. "Kinetics of radical reactions of tropospheric importance." Thesis, University of Oxford, 1991. http://ora.ox.ac.uk/objects/uuid:57362031-6d04-481e-8b23-cc2cefa1cc5c.

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The object of the research described in this thesis is to provide, by means of laboratory experiments, data required to understand the atmospheric chemistry of the nitrate radical, from both a mechanistic and kinetic point of view. The low pressure discharge-flow kinetic technique coupled detection of the NO<sub>3</sub> radical by optical absorption was used to measure the temperature-dependent rate coefficients for the reaction of NO<sub>3</sub> with 1-butene, 1-chloro-l-butene, 2-chloro-2-butene, 3-chloro-l-butene, 1-chloro-2-butene, 2-chloro-2-butene, 1-chloromethylpropene, 3-chloromethylpr

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22

Goto, Masashi. "Kinetics of atmospheric chemical reactions of fluorinated hydrocarbons." 京都大学 (Kyoto University), 2005. http://hdl.handle.net/2433/145179.

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Kyoto University (京都大学)<br>0048<br>新制・課程博士<br>博士(地球環境学)<br>甲第11759号<br>地環博第1号<br>新制||地環||1(附属図書館)<br>23402<br>UT51-2005-D508<br>京都大学大学院地球環境学舎地球環境学専攻<br>(主査)教授川崎昌博, 教授田村類, 助教授川崎三津夫<br>学位規則第4条第1項該当

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23

Sayin, Hasan McKee Michael L. "Quantum chemical studies and kinetics of gas reactions." Auburn, Ala, 2006. http://repo.lib.auburn.edu/2006%20Fall/Dissertations/SAYIN_HASAN_39.pdf.

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24

Wilson, Claire Louise. "Applications of pulsed CO₂ lasers in chemical kinetics." Thesis, Heriot-Watt University, 1986. http://hdl.handle.net/10399/1070.

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25

Reutershan, Trevor. "Chemical Kinetics and Adsorption in Wastewater Treatment Systems." Thesis, California State University, Long Beach, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10752236.

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<p> The purpose of this thesis is to provide a combined theoretical and experimental approach to solve several enduring questions in wastewater chemistry. Firstly, the sulfate radical has been proposed as an alternative oxidant in advanced oxidation processes (AOPs). Its reactivity with dissolved organic matter (DOM) has not yet been studied and will be quantied in this work using electron pulse radiolysis. Next, it has been shown that DOM present in wastewater can act to impede the remediation of harmful pharmaceutical contaminants in the AOP. Using a new binding model presented here, this as

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26

Rickards, Andrew M. J. "Hygroscopic organic aerosol : thermodynamics, kinetics, and chemical synthesis." Thesis, University of Bristol, 2015. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.686238.

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Aerosols play a crucial role in many areas of scientific relevance including in new technologies to deliver medicine to the lungs, and in fuel injection and spray drying. Aerosols have a profound impact on the atmosphere, influencing radiative forcing both by scattering solar radiation and by influencing cloud properties. Organic aerosols are a major component, making up 20 - 90 % of the submicron mass by region, and are emitted from many natural and anthropogenic sources. This thesis presents new measurements of the hygroscopic behaviour of single organic droplets confined using two technique

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27

Bandstra, Joel Zachary. "Kinetic modeling of heterogeneous chemical reactions with applications to the reduction of environmental contaminants on iron metal." Full text open access at:, 2005. http://content.ohsu.edu/u?/etd,280.

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28

Alecu, Ionut M. "Kinetic studies and computational modeling of atomic chlorine reactions in the gas phase." Thesis, University of North Texas, 2009. https://digital.library.unt.edu/ark:/67531/metadc12071/.

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The gas phase reactions of atomic chlorine with hydrogen sulfide, ammonia, benzene, and ethylene are investigated using the laser flash photolysis / resonance fluorescence experimental technique. In addition, the kinetics of the reverse processes for the latter two elementary reactions are also studied experimentally. The absolute rate constants for these processes are measured over a wide range of conditions, and the results offer new accurate information about the reactivity and thermochemistry of these systems. The temperature dependences of these reactions are interpreted via the Arrhen

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29

Tenney, Joel David. "The kinetics of the chlorine dioxide generation reaction." Thesis, Georgia Institute of Technology, 1988. http://hdl.handle.net/1853/10020.

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30

Wallin, Peter John. "The mathematical modelling of flotation kinetics." Thesis, University of Manchester, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.314632.

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31

Holmes, R. "Reaction kinetics of oil coke particles." Thesis, University of Portsmouth, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376048.

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32

Cho, Yong Kweon. "Kinetic and Chemical Mechanism of Pyrophosphate-Dependent Phosphofructokinase." Thesis, University of North Texas, 1988. https://digital.library.unt.edu/ark:/67531/metadc332128/.

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Data obtained from isotope exchange at equilibrium, exchange of inorganic phosphate against forward reaction flux, and positional isotope exchange of 18O from the (βγ-bridge position of pyrophosphate to a (β-nonbridge position all indicate that the pyrophosphate-dependent phosphofructokinase from Propionibacterium freudenreichii has a rapid equilibrium random kinetic mechanism. All exchange reactions are strongly inhibited at high concentrations of the fructose 6-phosphate/Pi and MgPPi/Pi substrate-product pairs and weakly inhibited at high concentrations of the MgPPi/fructose 1,6-bisphosphate

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33

Wilkinson, Sam K. "Reaction kinetics in formulated industrial catalysts." Thesis, University of Birmingham, 2014. http://etheses.bham.ac.uk//id/eprint/5113/.

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In heterogeneous catalysis, a fundamental understanding of the necessary physico-chemical requirements for a catalyst formulation is essential to its success. Understanding of reaction kinetics via modelling can demonstrate how catalysts work, providing functional information around surface active sites and reaction mechanism. This tool, combined with well-designed laboratory experiments to test a catalyst under steady and/or non-steady state conditions, can provide insight into the links between catalyst formulation and reaction performance. The aim of this project is to develop novel strateg

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34

Zhang, Ziji. "Theoretical and computational study of coupling of soot, gas kinetics and radiation in diffusion flames using reduced mechanisms /." Digital version accessible at:, 1998. http://wwwlib.umi.com/cr/utexas/main.

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35

Hersey, Michelle. "Oxidation of Arsenite Via Chelator-mediated Fenton Systems." Fogler Library, University of Maine, 2006. http://www.library.umaine.edu/theses/pdf/HerseyMX2006.pdf.

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36

Davies, Matthew Lloyd. "Exploiting nonlinear kinetics to enhance process operability." Thesis, University of Leeds, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.270897.

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37

Kang, Myungsun(Myungsun Sunny). "Optimizing vaccine dosing kinetics for stronger antibody response." Thesis, Massachusetts Institute of Technology, 2018. https://hdl.handle.net/1721.1/124586.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Chemical Engineering, 2019<br>Cataloged from PDF version of thesis. "The pagination in this thesis reflects how it was delivered to the Institute Archives and Special Collections. The Table of Contents does not accurately represent the page numbering"--Disclaimer Notice page.<br>Includes bibliographical references (pages 95-102).<br>One of the barriers to rational vaccine design against evolving pathogens is our lack of mechanistic understanding of how innate and adaptive immune response systematically emerge and evolve. Immu

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38

Yee, Nathan W. (Nathan Wa-Wai). "Predictive chemical kinetics for auto ignition of fuel blends." Thesis, Massachusetts Institute of Technology, 2018. http://hdl.handle.net/1721.1/115698.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Chemical Engineering, 2018.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references.<br>Predictive chemical kinetics plays an important part in the study of chemical systems by reducing the need for expensive experiments. The size and complexity of modem chemical mechanisms increasingly require the use of automated mechanism generators, such as the Reaction Mechanism Generator (RMG). Use of these automated generators for creating quality chemical mechanisms necessitates accurate reaction rates. Unfortu

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39

Van, Orman James Ashton 1969. "Kinetics of chemical exchange during melting of planetary interiors." Thesis, Massachusetts Institute of Technology, 2000. http://hdl.handle.net/1721.1/57964.

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Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Earth, Atmospheric, and Planetary Sciences, September 2000.<br>Includes bibliographical references.<br>Experimental and numerical modeling studies are used to place constraints on the kinetics of chemical exchange during partial melting within the mantles of the terrestrial planets. Chapter 1 presents experiments on the diffusion rates of La, Ce, Nd, Dy and Yb in diopside at pressures of 0 to 2.5 GPa and temperatures of 1050 to 1450 'C. The results demonstrate a large variation in diffusivity among the rare earth elements, with th

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40

Allen, Joshua W. (Joshua William). "Predictive chemical kinetics : enabling automatic mechanism generation and evaluation." Thesis, Massachusetts Institute of Technology, 2013. http://hdl.handle.net/1721.1/81677.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 2013.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references.<br>The use of petroleum-based fuels for transportation accounted for more than 25% of the total energy consumed in 2012, both in the United States and throughout the world. The finite nature of world oil reserves and the effects of burning petroleum-based fuels on the world's climate have motivated efforts to develop alternative, renewable fuels. A major category of alternative fuels is biofuels, which potentially include

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41

Cowles, Heather Jane. "Kinetics and thermodynamics of chemical reactions in aqueous solutions." Thesis, University of Leicester, 1990. http://hdl.handle.net/2381/34067.

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The kinetics of reaction and solvation properties of binary aqueous mixtures are discussed from different theoretical standpoints. Kinetic data are reported for reactions involving several Iron (II) complex cations in binary aqueous mixtures. The Savage-Wood Additivity Group Scheme (SWAG) is applied to kinetic data for the aquation of [Fe (5-nitro-1, 10-phenanthroline) 3]2+ in binary aqueous mixtures. Limitations of the theory are examined. The theory works well for reactions in alcohol-water and some carboxylic acid-water mixtures but not for reactions in urea-water and cyclic ether-water mix

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42

Nengovhela, Nkhangweleni Ryneth. "Kinetics of the chemical and biological iron (II) oxydation." Diss., University of Pretoria, 2003. http://hdl.handle.net/2263/30337.

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43

Amikiya, Emmanuel Adoliwine. "Numerical simulation of chemical kinetics transport and flow processes." Thesis, University of Pretoria, 2020. http://hdl.handle.net/2263/77830.

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In this thesis, numerical solution procedures are developed for simulating chemical phenomena. Mathematical models for phenomena involving flow, transport and reaction of chemical species are computationally challenging to simulate due to stiffness, high degrees of freedom and spatial dependence. Such challenges are resolved (in this thesis) by combining model decoupling techniques with compatible efficient numerical schemes. Chemical phenomena is decomposed into well-mixed chemical systems, poorly-mixed systems (or spatial dependent kinetics) and flow with reactive transport systems. Mathemat

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44

Olsen, Amanda Albright. "Forsterite Dissolution Kinetics: Applications and Implications for Chemical Weathering." Diss., Virginia Tech, 2007. http://hdl.handle.net/10919/28213.

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Silicate minerals are the most common mineral group in the earth's crust so it is not surprising that their weathering reactions dominate the chemistry of many earth surface processes. This project used forsterite as a model system to identify the important factors that affect silicate mineral dissolution rates and grain lifetimes in the weathering environment. I determined an empirical rate law for forsterite dissolution of forsterite in oxalic acid solutions: based on a series of 124 semi-batch reactor experiments over a pH range of 0 to 7 and total oxalate concentrations between 0 and 0.35

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45

Haworth, Naomi Louise. "Quantum Chemical Studies of Thermochemistry, Kinetics and Molecular Structure." Thesis, The University of Sydney, 2003. http://hdl.handle.net/2123/509.

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This thesis is concerned with a range of chemical problems which are amenable to theoretical investigation via the application of current methods of computational quantum chemistry. These problems include the calculation of accurate thermochemical data, the prediction of reaction kinetics, the study of molecular potential energy surfaces, and the investigation of molecular structures and binding. The heats of formation (from both atomisation energies and isodesmic schemes) of a set of approximately 120 C1 and C2 fluorocarbons and oxidised fluorocarbons (along with C3F6 and CF3CHFCF2) were

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46

Haworth, Naomi Louise. "Quantum Chemical Studies of Thermochemistry, Kinetics and Molecular Structure." University of Sydney. Chemistry, 2003. http://hdl.handle.net/2123/509.

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This thesis is concerned with a range of chemical problems which are amenable to theoretical investigation via the application of current methods of computational quantum chemistry. These problems include the calculation of accurate thermochemical data, the prediction of reaction kinetics, the study of molecular potential energy surfaces, and the investigation of molecular structures and binding. The heats of formation (from both atomisation energies and isodesmic schemes) of a set of approximately 120 C1 and C2 fluorocarbons and oxidised fluorocarbons (along with C3F6 and CF3CHFCF2) were

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47

Khan, Ahmed Faraz. "Chemical kinetics modelling of combustion processes in SI engines." Thesis, University of Leeds, 2014. http://etheses.whiterose.ac.uk/7554/.

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The need for improving the efficiency and reducing emissions is a constant challenge in combustion engine design. For spark ignition engines, these challenges have been targeted in the past decade or so, through ‘engine downsizing’ which refers to a reduction in engine displacement accompanied by turbocharging. Besides the benefits of this, it is expected to aggravate the already serious issue of engine knock owing to increased cylinder pressure. Engine knock which is a consequence of an abnormal mode of combustion in SI engines, is a performance limiting phenomenon and potentially damaging to

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48

Calderini, Danilo. "Kinetics and dynamics for chemical reactions in gas phase." Doctoral thesis, Scuola Normale Superiore, 2016. http://hdl.handle.net/11384/85818.

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A deep understanding of molecular reactions is a challenging task since the range of time and energy covered implies a wide and dense grid for the numerical representation of the reactive Hamiltonian. For a computational chemist, the accurate prediction of its value starting from the definition of reactants and products is fascinating and demanding, but can be extremely useful for further investigation and optimization problems. Several methods, all derived by the Transition State Theory, have been developed to avoid the computational cost of the Hamiltonian representation on a large, multid

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49

Rufeger, Waltraud. "An analysis of the oregonator." Diss., Georgia Institute of Technology, 1996. http://hdl.handle.net/1853/29853.

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50

Mangan, Lee S. "Equilibrium and disequilibrium aspects of contact metamorphism : the Ross of Mull granite aureole, Scotland." Thesis, University of Liverpool, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.295820.

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