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Relevant bibliographies by topics / Chemical kinetics and dynamics / Dissertations / Theses

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Dissertations / Theses on the topic 'Chemical kinetics and dynamics'

Author: Grafiati

Published: 17 September 2021

Last updated: 30 July 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

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

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3

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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4

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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5

Ferreira, Matheus. "The Kinetics and Dynamics of Schizosaccharomyces pombe Riboflavin Kinase." Thesis, Umeå universitet, Kemiska institutionen, 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-150544.

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6

Yan, Jiarui. "Kinetics and Ensemble Dynamics of Colloidal Ellipsoids near an AC Electrode." Cleveland State University / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=csu1537378570394163.

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7

Hall, Charles A. "Kinetics and mass-transfer effects in batch alkoxylations." Thesis, Georgia Institute of Technology, 1987. http://hdl.handle.net/1853/11213.

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8

Neugebohren, Jannis. "Implementing Ion Imaging to Probe Chemical Kinetics and Dynamics at Surfaces." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2018. http://hdl.handle.net/11858/00-1735-0000-002E-E43B-1.

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9

Reeves, Christopher Thomas. "Kinetics and dynamics of adsorption on single crystal semiconductor and metal surfaces." Access restricted to users with UT Austin EID Full text (PDF) from UMI/Dissertation Abstracts International, 2001. http://wwwlib.umi.com/cr/utexas/fullcit?p3035962.

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10

Spangler, Robert S. "The stability of the iodate-arsenous acid reaction front while advected by Poiseuille flow." Morgantown, W. Va. : [West Virginia University Libraries], 2005. https://eidr.wvu.edu/etd/documentdata.eTD?documentid=4285.

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Thesis (Ph. D.)--West Virginia University, 2005.<br>Title from document title page. Document formatted into pages; contains v, 102, [9] p. : ill. Includes abstract. Includes bibliographical references (p. 95-97).

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11

Shaver, Rachel Glyn. "The use of chirped pulse millimeter-wave spectroscopy in chemical dynamics and kinetics." Thesis, Massachusetts Institute of Technology, 2013. http://hdl.handle.net/1721.1/79274.

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Thesis (S.M.)--Massachusetts Institute of Technology, Dept. of Chemistry, 2013.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references (p. 51-53).<br>.Chirped-pulse millimeter wave (CPmmW) spectroscopy is a revolutionary technique that has taken advantage of advances in electronics to give high signal to noise broadband rotational spectra in a very short period of time that provides meaningful line intensities. We have implemented this technique in the 58 - 102 GHz range to study the rotational spectra of molecules with two heavy atoms. Photolysis (at 193 nm) and pyrol

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12

Steckmann, Timothy Michael. "Rate Kinetics and Molecular Dynamics of the Structural Transitions in Amyloidogenic Proteins." FIU Digital Commons, 2016. http://digitalcommons.fiu.edu/etd/2978.

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Amyloid fibril aggregation is associated with several horrific diseases such as Alzheimer’s, Creutzfeld-Jacob, diabetes, Parkinson’s and others. The process of amyloid aggregation involves forming myriad different metastable intermediate aggregates. Amyloid fibrils are composed of proteins that originate in an innocuous α-helix or random-coil structure. The α-helices convert their structure to β-strands that aggregate into β-sheets, and then into protofibrils, and ultimately into fully formed amyloid fibrils. On the basis of experimental data, I have developed a mathematical model for the kine

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13

Remmert, Sarah M. "Reduced dimensionality quantum dynamics of chemical reactions." Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:7f96405f-105c-4ca3-9b8a-06f77d84606a.

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In this thesis a reduced dimensionality quantum scattering model is applied to the study of polyatomic reactions of type X + CH4 <--> XH + CH3. Two dimensional quantum scattering of the symmetric hydrogen exchange reaction CH3+CH4 <--> CH4+CH3 is performed on an 18-parameter double-Morse analytical function derived from ab initio calculations at the CCSD(T)/cc-pVTZ//MP2/cc-pVTZ level of theory. Spectator mode motion is approximately treated via inclusion of curvilinear or rectilinear projected zero-point energies in the potential surface. The close-coupled equations are solved using R-matrix p

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14

RAGHUPATHY, ARUN PRAKASH. "A NUMERICAL STUDY OF DETONATION AND PLUME DYNAMICS IN A PULSED DETONATION ENGINE." University of Cincinnati / OhioLINK, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1123290677.

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15

Ceccato, Alessandro. "Approaches to dimensionality reduction and model simplification of dynamics in the chemical context." Doctoral thesis, Università degli studi di Padova, 2018. http://hdl.handle.net/11577/3426709.

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Much of the effort in the modern chemical and physical sciences is devoted to the study of complex dynamical phenomena. Such a study is often hampered by the considerable complexity (i.e., the high dimensionality) exhibited by the systems of interest. In this research project, of theoretical and methodological character, we explore some facets of the topics of model reduction and simplification of complex dynamics, both deterministic and stochastic. In particular, in the first part of the work (chs. 2-5), we focus on deterministic systems. In chapter 2, starting from the findings of two

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16

Oyekola, Oluwaseun Oyekanmi. "An investigation into the relationship between process kinetics and microbial community dynamics in a lactate-fed sulphidogenic CSTR as a function of residence time and sulphate loading." Doctoral thesis, University of Cape Town, 2008. http://hdl.handle.net/11427/5419.

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Includes abstract.<br>Includes bibliographical references (p. 183-212).<br>The treatment of acid mine drainage and other sulphate-laden wastewaters usingbiological sulphate reduction technology has been shown to offer several advantages.This process effectively removes the following toxicants: sulphate, heavy metals andacidity. Previous studies have also revealed that the sub-process, sulphate reduction, isinfluenced by the choice of electron donor, constituents of the microbial populationmediating the process, the feed sulphate concentration and other operationalparameters. The current work i

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17

Gohres, John Linton III. "Spectroscopic and computational investigations of molecular interactions in gas-expanded liquids." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/24692.

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Thesis (Ph.D.)--Chemical Engineering, Georgia Institute of Technology, 2008.<br>Committee Chair: Charles A. Eckert; Committee Co-Chair: Charles L. Liotta; Committee Member: J. Carson Meredith; Committee Member: Rigoberto Hernandez; Committee Member: William J. Koros

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18

Aly, Ahmed Mohamed Mostafa. "Physical and chemical kinetics of structural build-up of cement suspensions." Thèse, Université de Sherbrooke, 2016. http://hdl.handle.net/11143/8958.

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Abstract : The structural build-up of fresh cement-based materials has a great impact on their structural performance after casting. Accordingly, the mixture design should be tailored to adapt the kinetics of build-up given the application on hand. The rate of structural build-up of cement-based suspensions at rest is a complex phenomenon affected by both physical and chemical structuration processes. The structuration kinetics are strongly dependent on the mixture’s composition, testing parameters, as well as the shear history. Accurate measurements of build-up rely on the efficiency of the a

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19

Few, Julian William. "FTIR studies of chemical processes." Thesis, University of Oxford, 2013. http://ora.ox.ac.uk/objects/uuid:b7dbc587-fb9e-46de-8f04-44892fde0bf4.

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This thesis presents the study of a selection of gas phase chemical processes using time-resolved Fourier transform infrared (FTIR) emission spectroscopy. Such processes include molecular energy transfer, chemical reaction and photodissociation. The major focus of this thesis was the investigation of collisional energy transfer from the electronically excited states of NO and OH, with particular attention paid to the fate of the electronic energy. NO A<sup>2</sup>Σ<sup>+</sup>(v = 0) is prepared by laser excitation, pumping the overlapped Q<sub>1</sub> and P<sub>21</sub> band heads of th

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20

Keller, Michel. "Development of a multi-scale approach using chemical kinetics and reactive force field molecular dynamics to model soot formation and oxidation." Thesis, Institut polytechnique de Paris, 2019. http://www.theses.fr/2019IPPAE005.

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La présente étude décrit la mise au point d'une approche multi-échelles pour la modélisation des processus pendant la formation et l'oxydation précoce de la suie. Pour ce faire, des calculs cinétiques détaillés et macroscopiques en phase gazeuse sont utilisés, à l'aide de Chemkin, pour modéliser la combustion dans un réacteur fermé hétérogène dans des conditions diverses. Afin d'étudier l'impact de la température, du mélange de carburant et du rapport d'équivalence, une gamme de ces trois paramètres a été analysée. A partir des résultats des calculs de cinétique de réaction, des molécules pert

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21

Saleh, Nail Asad. "Dynamical solvent effect in 1-(9-anthryl)-3-(4-dimethylaniline) propane charge transfer reactions /." free to MU campus, to others for purchase, 2002. http://wwwlib.umi.com/cr/mo/fullcit?p3060138.

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22

Gatenby, Simon David. "A stereodynamical study of the H+Nâ†2O reaction." Thesis, University of Oxford, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.301421.

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23

Varga, Zsigmond Ph D. Massachusetts Institute of Technology. "Improved models of colloidal gels : kinetic arrest relaxation dynamics, structural breakdown and the role of hydrodynamic interactions." Thesis, Massachusetts Institute of Technology, 2018. http://hdl.handle.net/1721.1/117917.

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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 (pages 261-277).<br>Colloidal gels, composed of sub-micron, mutually attractive particles that aggregate to form a system spanning network, are the most abundant and diverse soft matter in society with numerous familiar, yet also many exotic applications, ranging from common dairy products to novel medical implants. Despite this profusion, the link between network microstructure and macroscopic behavior and function rem

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24

Rhamdhani, Muhammad Akbar Brooks Geoffrey. "Reaction kinetics and dynamic interfacial phenomena in liquid metal-slag systems." *McMaster only, 2005.

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25

Pham, Van Tuyet. "The synthesis and reactions of chiral 1,3,2-oxazaphospholane derivations : kinetic and mechanistic studies of polyether omega-phase catalyzed reactions of potassium cyanide with benzyl bromide in non-polar, aprotic solvent toluene." Diss., Georgia Institute of Technology, 1987. http://hdl.handle.net/1853/27416.

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26

Nell, Annalien. "Study of the plasma based production of tetrafluoroethylene." Thesis, Stellenbosch : Stellenbosch University, 1999. http://hdl.handle.net/10019.1/51440.

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Thesis (MIng) --Stellenbosch University, 1999.<br>ENGLISH ABSTRACT: A method was developed at the Atomic Energy Corporation of South Africa (AEC) for the plasma based production of tetrafluoroethylene (TFE). The process involves the feeding of carbon particles into a direct-current CF4 plasma. The resultant plasma gas is quenched rapidly to obtain TFE and other fluorocarbons. The mixing of the particles with the plasma gas is very important in order to achieve a high C:F-ratio in the gas phase, which promotes the desired reactions. The gas enthalpy in the reactor is a governing factor in

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27

Sousa, Raphael Nagao de. "Elucidação de mecanismos reacionais em regime longe do equilíbrio termodinâmico." Universidade de São Paulo, 2013. http://www.teses.usp.br/teses/disponiveis/75/75134/tde-24022014-114406/.

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A formação espontânea de padrões espaço-temporais auto-organizados longe do equilíbrio termodinâmico é um comportamento característico de sistemas de reação-transporte. De fato, essa estruturação espacial pode ser entendida como um comportamento coletivo de um grande número de elementos individuais no sistema. Consequentemente o padrão emerge como o resultado da interação entre a dinâmica local dessas subunidades e o mecanismo de acoplamento espacial. Dinâmica não-linear do tipo multi-estável, excitável e oscilatória são exemplos típicos de padrões temporais complexos geralmente associados à e

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28

Knecht, Stephan [Verfasser], and Jürgen [Akademischer Betreuer] Hennig. "On the interplay of spin dynamics and chemical kinetics in the nuclear spin hyperpolarization technique signal amplification by reversible exchange (SABRE): a simulation and experimental NMR study." Freiburg : Universität, 2019. http://d-nb.info/1204826196/34.

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29

Wilson, Jamie Robyn. "Measurement and prediction of nonlinear harmonics as a tool for dynamic characterization of electrochemical systems /." Thesis, Connect to this title online; UW restricted, 2007. http://hdl.handle.net/1773/9852.

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30

Visharia, Fanil K. "EXPLORATION OF THE POSSIBLE MECHANISMS FOR NIGHTTIME DECAY OF ISOPRENE: EVALUATION OF ATMOSPHERIC KINETICS AND TRANSPORT." Ohio : Ohio University, 2002. http://www.ohiolink.edu/etd/view.cgi?ohiou1040130793.

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31

Milligan, Ryan Timothy. "DUAL MODE SCRAMJET: A COMPUTATIONAL INVESTIGATION ON COMBUSTOR DESIGN AND OPERATION." Wright State University / OhioLINK, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=wright1251725076.

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32

Neugebohren, Jannis [Verfasser], Alec [Akademischer Betreuer] Wodtke, Alec [Gutachter] Wodtke, et al. "Implementing Ion Imaging to Probe Chemical Kinetics and Dynamics at Surfaces / Jannis Neugebohren ; Gutachter: Alec Wodtke, Dirk Schwarzer, Theofanis Kitsopoulos, Jörg Behler, Burkhard Geil, Konrad Koszinowski ; Betreuer: Alec Wodtke." Göttingen : Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2018. http://d-nb.info/1162339659/34.

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33

Olowu, Rasaq Adewale. "Impedimetric and electrode kinetic dynamics of DNA aptamer nanobiosensors for estrogeneous endocrine disruptors." University of the Western Cape, 2011. http://hdl.handle.net/11394/8455.

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Philosophiae Doctor - PhD<br>In this work, DNA aptamer biosensor systems were developed for the detection of l7p-estradiol - an estrogeneous endocrine disrupting chemical (EDC). Endocrine disrupting chemicals are group of compounds that impact negatively on the endocrine system of humans and wildlife. High concentrations of l7p-estradiol in water or food chain disrupts the physiology of the endocrine system of various animal species, leading to feminisation in fish and stimulates the proliferation of cancer cells in humans. Aptasensor systems for the determination of l7pestradiol were prepared

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34

Crawford, Michael R. "A Computational Study of Mixing in Jet Stirred Reactors." University of Akron / OhioLINK, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=akron1405328296.

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35

Zornio, Bruno Fedosse 1990. "Estudo teórico e experimental da teoria de Kramers utilizando pinças ópticas e dinâmica de Langevin." [s.n.], 2014. http://repositorio.unicamp.br/jspui/handle/REPOSIP/249160.

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Orientador: René Alfonso Nome Silva<br>Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Química<br>Made available in DSpace on 2018-08-26T04:23:53Z (GMT). No. of bitstreams: 1 Zornio_BrunoFedosse_M.pdf: 1493558 bytes, checksum: 07565e7077eefa5f9f91f03dc9cc90d4 (MD5) Previous issue date: 2014<br>Resumo: No final do século XIX Van¿tHoff empiricamente estabeleceu que a constante de velocidade de uma reação química é função exponencial da razão entre energia de ativação da reação pela energia térmica do ambiente (e portanto função da temperatura). Há uma variada ordem nas

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36

Yamada, Shinobu Tomas. "Modelagem e simulação de um reator multitubular em leito fixo com cinética Fischer Tropsch e catalisador de cobalto." [s.n.], 2011. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266893.

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Orientador: Reginaldo Guirardello<br>Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Química<br>Made available in DSpace on 2018-08-18T13:21:06Z (GMT). No. of bitstreams: 1 Yamada_ShinobuTomas_D.pdf: 3876142 bytes, checksum: 951723c2abec9e70853595542ea18fe3 (MD5) Previous issue date: 2011<br>Resumo: Esta tese apresenta a cinética e a fluidodinâmica do processo Fischer Tropsch realizado nos softwares científicos Fortran (Formula Translation) e CFX (Fluidodinâmica Computacional) da AEA Technology plc. O presente trabalho é uma simulação computacional de um sistema

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37

Harper, Lee D. "Stark deceleration and reactivity of polyatomic molecules and ions at low temperatures." Thesis, University of Oxford, 2013. http://ora.ox.ac.uk/objects/uuid:ac6b9303-3abe-4085-b9fc-6a3e76486619.

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This thesis describes the development of a new experimental technique for studying tunable-collision-energy, quantum state-selected, low-temperature ion-molecule reactions. This has been achieved through the combination of a Stark decelerator for neutral dipolar molecules, and a linear Paul ion trap. The Stark deceleration process for ND<sub>3</sub> was examined in detail, through the analysis of experimental data in combination with newly written molecular dynamics simulation programs. In order to prepare a sample of molecules appropriate for collision studies, additional beamline components

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38

Klajner, Piotr. "Experimental study of the kinetics of two systems : DNA complexation by the NCp7 protein and probe dynamics in a glassy colloidal suspension." Phd thesis, Université de Strasbourg, 2012. http://tel.archives-ouvertes.fr/tel-00858886.

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In the first part of this thesis, we study the kinetics of the complexation of a double-stranded DNA byNCp7 protein. To do this, we study the evolution of mechanical properties of DNA and its complexation by stretching the DNA/NCp7 complex with a optical trap. We observed that the persistence length of the complex decreases progressively during the complexation. Using astatistical model we describe the evolution of the flexibility of DNA complexed with NCp7. Our main result is that the fraction phi of base pairs that have reacted is not a linear function of time at low phi.We interpret our res

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Kleckner, Ian Robert. "Thermodynamic, Kinetic, and Dynamics Studies of the Allosteric Ligand-Responsive Regulatory Protein TRAP." The Ohio State University, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=osu1313460041.

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Parada, Hernández Natalia Lorena 1982. "Study and evaluation of CO2 laser application in the epoxy resin production in microreactors." [s.n.], 2010. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266951.

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Orientador: Rubens Maciel Filho<br>Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Química<br>Made available in DSpace on 2018-08-17T01:43:12Z (GMT). No. of bitstreams: 1 ParadaHernandez_NataliaLorena_M.pdf: 3447077 bytes, checksum: 71ef0ac11523fdfcfd56b1e719487b5f (MD5) Previous issue date: 2010<br>Resumo: O estudo das resinas epóxicas é de grande interesse científico e tecnológico devido à versatilidade apresentada por estes materiais. Esta versatilidade é o resultado das diferentes reações químicas envolvidas e das características físico-químicas dos di

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41

Silva, Camila Rodrigues da. "Estudo de resolução cinética de álcoois secundários utilizando reação de oxidação enantiosseletiva mediada por bactérias." Universidade de São Paulo, 2010. http://www.teses.usp.br/teses/disponiveis/46/46135/tde-26042010-105030/.

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Nesta dissertação de mestrado foram estudadas duas bactérias, Sphingobacterium sp e Arthrobacter atrocyaneus, produtoras de enzimas álcool desidrogenases que se mostraram capazes de catalisar reações de oxidação enantiosseletiva de alcoóis secundários racêmicos. Inicialmente foram avaliados alguns parâmetros para a realização da resolução cinética do (RS)-1-feniletanol, assim como quantidade de substrato, biomassa das bactérias (Sphingobacterium sp e Arthrobacter atrocyaneus) e tempo reacional necessário para a oxidação completa de um dos enantiômeros do substrato. Nas reações com a bactéria S

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42

Beauquel, Julien A. "Numerical investigation on the in-cylinder flow with SI and CAI valve timings." Thesis, Loughborough University, 2016. https://dspace.lboro.ac.uk/2134/21548.

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The principle of controlled auto-ignition (CAI) is to mix fuel and air homogeneously before compressing the mixture to the point of auto-ignition. As ignition occurs simultaneously, CAI engines operate with lean mixtures preventing high cylinder pressures. CAI engines produce small amounts of nitrogen oxides (NOx) due to low combustion temperatures while maintaining high compression ratios and engine efficiencies. Due to simultaneous combustion and lean mixtures, CAI engines are restricted between low and mid load operations. Various strategies have been studied to improve the load limit of CA

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43

Aoto, Yuri Alexandre. "Construção da superfície de energia potencial global para o sistema [H,S,F]." Universidade de São Paulo, 2013. http://www.teses.usp.br/teses/disponiveis/46/46136/tde-22102013-083700/.

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Este projeto tem dois objetivos. Primeiramente estudou-se a aplicabilidade dos splines tricúbicos para a construção de superfícies de energia potencial globais. Um dos obstáculos que este método tem de superar e a escolha de um sistema de coordenadas apropriado, que minimize a influência de pontos não físicos. Para isto, propôs-se o uso do sistema de coordenadas de Pekeris, nunca usado para este fim. Este procedimento foi realizado para três sistemas químicos bem descritos na literatura, [Cl,H2], [F,H,D] e [H,O,Cl], cujas superfícies de energia potencial e propriedades das reações foram usadas

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44

Jeynes, Smith Cailan. "Mathematical modelling of ultrasensitivity in enzyme-mediated reactions." Thesis, Queensland University of Technology, 2020. https://eprints.qut.edu.au/174502/1/Cailan_Jeynes%20Smith_Thesis.pdf.

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This thesis presents a thorough mathematical investigation of the important phenomenon of Ultrasensitivity in enzyme-mediated chemical reaction networks. The study considers several novel chemical reaction networks, and develops a robust new nomenclature that allows Ultrasensitivity to be analysed in precise quantitative terms. This investigation encompasses both stochastic and deterministic simulations, as well as analytical methods, which together provide a comprehensive understanding of ultrasensitivity-promoting mechanisms in simple chemical reaction networks.

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45

Perkins, Thomas Edward James. "The effects of electronic quenching on the collision dynamics of OH(A) with Kr and Xe." Thesis, University of Oxford, 2014. http://ora.ox.ac.uk/objects/uuid:5998e249-35ff-4d05-9c13-9b65d59b11d9.

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This thesis presents an experimental and theoretical study of the collision dynamics of OH(A<sup>2</sup>Σ<sup>+</sup>) with Kr and Xe. These two systems both exhibit a significant degree of electronically non-adiabatic behaviour, and a particular emphasis of the work presented here is to characterise the competition and interplay between electronic quenching on the one hand, and electronically adiabatic collisional processes on the other. Quenching takes place close to the bottom of the deepest potential well for both systems. In collisions that remain in the excited electronic state, this sam

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46

Mélykúti, Bence. "Theoretical advances in the modelling and interrogation of biochemical reaction systems : alternative formulations of the chemical Langevin equation and optimal experiment design for model discrimination." Thesis, University of Oxford, 2010. http://ora.ox.ac.uk/objects/uuid:d368c04c-b611-41b2-8866-cde16b283b0d.

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This thesis is concerned with methodologies for the accurate quantitative modelling of molecular biological systems. The first part is devoted to the chemical Langevin equation (CLE), a stochastic differential equation driven by a multidimensional Wiener process. The CLE is an approximation to the standard discrete Markov jump process model of chemical reaction kinetics. It is valid in the regime where molecular populations are abundant enough to assume their concentrations change continuously, but stochastic fluctuations still play a major role. We observe that the CLE is not a single equatio

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Abdennur, Nezar A. "A Framework for Individual-based Simulation of Heterogeneous Cell Populations." Thèse, Université d'Ottawa / University of Ottawa, 2011. http://hdl.handle.net/10393/20478.

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An object-oriented framework is presented for developing and simulating individual-based models of cell populations. The framework supplies classes to define objects called simulation channels that encapsulate the algorithms that make up a simulation model. These may govern state-updating events at the individual level, perform global state changes, or trigger cell division. Simulation engines control the scheduling and execution of collections of simulation channels, while a simulation manager coordinates the engines according to one of two scheduling protocols. When the ensemble of cells bei

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Torella, Joseph Peter. "Confocal single-molecule fluorescence as a tool for investigating biomolecular dynamics in vitro and in vivo." Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:f57d1984-8db9-4d79-b333-f1be507ca3bf.

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Confocal single-molecule fluorescence is a powerful tool for monitoring conformational dynamics, and has provided new insight into the enzymatic activities of complex biological molecules such as DNA and RNA polymerases. Though useful, such studies are typically qualitative in nature, and performed almost exclusively in highly purified, in vitro settings. In this work, I focus on improving the methodology of confocal single-molecule fluorescence in two broad ways: (i) by enabling the quantitative identification of molecular dynamics in proteins and nucleic acids in vitro, and (ii) developing t

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Choi, Sung-Hwan. "Dewetting of Polystyrene Thin Films on Organosilane Modified Surfaces." University of Akron / OhioLINK, 2006. http://rave.ohiolink.edu/etdc/view?acc_num=akron1145295240.

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Aguilar, Fargas Javier. "Estudi experimental i teòric de la dinàmica de les reaccions ió-molècula." Doctoral thesis, Universitat de Barcelona, 2014. http://hdl.handle.net/10803/277175.

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Iso-chloropropane dehydrohalogenation processes by alkali ion collisions (Li, Na and K) have been studied from a theoretical and an experimental point of view. Both methods have detected the following channels:(1): C(3)H(7)Cl + M(8)→ [C(3)H(6)M](+) + HCl; (2): C(3)H(7)Cl + M(+)→ C(3)H(6) + [HClM(]+); (3) :C(3)H(7)Cl + M(+)→ C(3)H(7) + MCl(+), where M represents the alkali ion. The first two reactions are dehydrohalogenations while the third one is a C-Cl bond heterolytic dissociation producing the alkali metal halide and C3H7+. Their reaction dynamics has been studied experimentally by mo

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