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Dissertations / Theses on the topic 'Chemical reaction'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Steele, Aaron J. "Collective behavior in chemical systems." Morgantown, W. Va. : [West Virginia University Libraries], 2007. https://eidr.wvu.edu/etd/documentdata.eTD?documentid=5386.

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Thesis (Ph. D.)--West Virginia University, 2007.<br>Title from document title page. Document formatted into pages; contains vii, 126 p. : ill. (some col.) + video files. Includes supplementary video files in a zip file. Includes abstract. Includes bibliographical references.

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2

Degrand, Elisabeth. "Evolving Chemical Reaction Networks." Thesis, KTH, Skolan för elektroteknik och datavetenskap (EECS), 2019. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-257491.

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One goal of synthetic biology is to implement useful functions with biochemical reactions, either by reprogramming living cells or programming artificial vesicles. In this perspective, we consider Chemical Reaction Networks (CRNs) as a programming language. Recent work has shown that continuous CRNs with their dynamics described by ordinary differential equations are Turing complete. That means that any function over the reals that is computable by a Turing machine in arbitrary precision, can be computed by a CRN over a finite set of molecular species. The proof uses an algorithm which, given

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3

Knight, Daniel William. "Reactor behavior and its relation to chemical reaction network structure." The Ohio State University, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=osu1438274630.

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4

Du, Yimian. "Bifurcation analysis in chemical reaction network." Thesis, Imperial College London, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.511282.

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5

Hayes, Michael Y. "Theoretical studies of chemical reaction dynamics." Connect to online resource, 2007. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3273678.

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6

Ritchie, Grant A. D. "Laser studies of chemical reaction dynamics." Thesis, University of Oxford, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.325785.

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7

English, Philip J. "Automated discovery of chemical reaction networks." Thesis, University of Newcastle Upon Tyne, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.500929.

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The identification of models of chemical reaction networks is of importance in the safe, economic and environmentally sensitive development of chemical products. Qualitative models of a network of interactions are used in the design of drugs and other therapies. Quantitative models of the behaviour of reaction networks are the foundation of the science of reaction engineering (e.g. see Levenspiel, 1999); allowing the use of simulation software in the rapid development of commercial scale production processes. This work extends the existing methods reported by Burnham et al. (2006); adopting th

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8

Domijan, Mirela. "Mathematical aspects of chemical reaction networks." Thesis, University of Warwick, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.495019.

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Chemical and biological processes present a challenge when it comes to modelling and analysis. The models usually have to take into account many chemicals and complex interactions and in turn, they are often described by large ODE systems with complicated nonlinear terms. If there is a lack of quantitative information about the chemical interactions, there will also be parameter uncertainty in the systems. Such systems present a challenge to analyse. In response, an increasing consensus calls for emphasis on the underlying chemical reaction network structure and the use of network information

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9

Xu, Jin, and 徐进. "A study of chemical reaction optimization." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2012. http://hub.hku.hk/bib/B48199242.

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Complex optimization problems are prevalent in various fields of science and engineering. However, many of them belong to a category of problems called NP- hard (nondeterministic polynomial-time hard). On the other hand, due to the powerful capability in solving a myriad of complex optimization problems, metaheuristic approaches have attracted great attention in recent decades. Chemical Reaction Optimization (CRO) is a recently developed metaheuristic mimicking the interactions of molecules in a chemical reaction. With the flexible structure and excellent characteristics, CRO can explo

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10

Galagali, Nikhil. "Bayesian inference of chemical reaction networks." Thesis, Massachusetts Institute of Technology, 2016. http://hdl.handle.net/1721.1/104253.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Mechanical Engineering, 2016.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references (pages 189-198).<br>The development of chemical reaction models aids system design and optimization, along with fundamental understanding, in areas including combustion, catalysis, electrochemistry, and biology. A systematic approach to building reaction network models uses available data not only to estimate unknown parameters, but to also learn the model structure. Bayesian inference provides a natural approach for

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11

Mashino, Michio. "Photoinduced Chemical Reaction of Halogenated Hydrocarbons." 京都大学 (Kyoto University), 2004. http://hdl.handle.net/2433/147629.

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12

Rowe, Stephen Michael. "The use of reaction inhibition techniques for control of runaway polymerisation reactions." Thesis, London South Bank University, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.336802.

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13

Zwahlen, Andreas G. "Reaction and deactivation kinetics of isobutane, using a concentration-controlled internal-recycle reactor /." Title page, contents and summary only, 1989. http://web4.library.adelaide.edu.au/theses/09PH/09phz971.pdf.

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14

Serbetcioglu, Serpil. "Mass transfer and catalytic reaction in a three-phase monolith reactor." Thesis, University of Bath, 1993. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.332665.

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15

Holder, Grant Newton. "Redox reactivity of mononuclear and binuclear rhenium complexes." Diss., Georgia Institute of Technology, 1988. http://hdl.handle.net/1853/30392.

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16

Gao, Connie W. (Connie Wu). "Automatic reaction mechanism generation :." Thesis, Massachusetts Institute of Technology, 2016. http://hdl.handle.net/1721.1/104205.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Chemical Engineering, 2016.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references.<br>Growing awareness of climate change and the risks associated with our society's dependence on fossil fuels has motivated global initiatives to develop economically viable, renewable energy sources. However, the transportation sector remains a major hurdle. Although electric vehicles are becoming more mainstream, the transportation sector is expected to continue relying heavily on combustion engines, particularly in

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17

Lekakou, Constantina. "Simulation of flow, reaction and heat transfer in reaction injection moulding." Thesis, Imperial College London, 1987. http://hdl.handle.net/10044/1/47048.

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18

Akintoye, Ayodele. "Continuous chromatographic biochemical reaction-separation." Thesis, Aston University, 1989. http://publications.aston.ac.uk/9739/.

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Combined bioreaction separation studies have been carried out for the first time on a moving port semi-continuous counter-current chromatographic reactor-separator (SCCR-S1) consisting of twelve 5.4cm id x 75cm long columns packed with calcium charged cross-linked polystyrene resin (KORELA V07C). The inversion of sucrose to glucose and fructose in the presence of the enzyme invertase and the biochemIcal synthesis of dextran and fructose from sucrose in the presence of the enzyme dextransucrase were investigated. A dilute stream of the appropriate enzyme in deionised water was used as the eluen

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19

Adhikari, Sudip. "Accelerating the Computation of Chemical Reaction Kinetics for Modeling Turbulent Reacting Flows." University of Akron / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=akron1510259399348102.

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20

Al-Ibadi, Muhsen Abood Muhsen. "Quantum chemical studies of organometallic reaction mechanisms." Thesis, University of Oxford, 2011. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.547444.

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21

Dunning, Greg. "Bimolecular chemical reaction dynamics : a phase comparison." Thesis, University of Bristol, 2015. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.682187.

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Studies of the dynamics of chemical reactions reveal a great deal about their mechanisms and the forces that control the chemistry. However, most of these studies have been performed on isolated reactions in the gas-phase, either experimentally or using computational methods. This thesis presents experimental results for the dynamics of both gas and liquid phase reactions. The results are compared in an attempt to understand the effects a solvent has on the course of a chemical reaction. The gas phase experiments focussed on the reactions of Cl atoms with alkenes, in an extension of previous g

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22

Manta, Bianca. "Quantum Chemical Studies of Enzymatic Reaction Mechanisms." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-141321.

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Computer modeling of enzymes is a valuable complement to experiments. Quantum chemical studies of enzymatic reactions can provide a detailed description of the reaction mechanism and elucidate the roles of various residues in the active site. Different reaction pathways can be analyzed, and their feasibility be established based on calculated energy barriers. In the present thesis, density functional theory has been used to study the active sites and reaction mechanisms of three different enzymes, cytosine deaminase (CDA) from Escherichia coli, ω-transaminase from Chromobacterium violaceum (Cv

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23

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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24

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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25

Lamb, David R. "New reaction systems for environmentally conscious chemical processes." Diss., Georgia Institute of Technology, 1998. http://hdl.handle.net/1853/30075.

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26

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

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27

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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28

Nadeau, Patrice. "Study of the mixing with chemical reaction in a cross flow impinging jet aerosol reactor." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1999. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape3/PQDD_0029/NQ64625.pdf.

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29

Abou-Chahine, Fawzi. "Chemical reaction dynamics in solution in chlorinated solvents." Thesis, University of Bristol, 2013. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.617705.

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This thesis investigates chemical reaction dynamics in solution in chlorinated solvents on ultrafast timescales. Ultraviolet (UV) photolysis of the chlorinated solvents at 266 nm produces Cl atoms, which react with 2,3-dimethylbut-2-cne (DMB). Experimental studies of this reaction address the question of how the energetic pathways and fundamental mechanisms of an isolated (i.e. gas phase) reaction change when it is occurs in the more condensed phase of a liquid environment. The data analysis and proposed reactive pathways are informed by the comparable reactions of Cl with propene in the gas p

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30

Collepardo-Guevara, Rosana. "Chemical reaction rates from ring polymer molecular dynamics." Thesis, University of Oxford, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.504307.

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31

Burnham, Samantha Claire. "Towards the automated determination of chemical reaction networks." Thesis, University of Newcastle Upon Tyne, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.445585.

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32

Hii, Charles Jun Khiong. "Elucidation of chemical reaction networks through genetic algorithm." Thesis, University of Newcastle upon Tyne, 2017. http://hdl.handle.net/10443/3647.

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Obtaining chemical reaction network experimentally is a time consuming and expensive method. It requires a lot of specialised equipment and expertise in order to achieve concrete results. Using data mining method on available quantitative information such as concentration data of chemical species can help build the chemical reaction network faster, cheaper and with less expertise. The aim of this work is to design an automated system to determine the chemical reaction network (CRN) from the concentration data of participating chemical species in an isothermal chemical batch reactor. Evolutiona

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33

McKeogh, Brendan James. "Chemical Changes in Hydrothermal Carbon with Reaction Time." Digital WPI, 2017. https://digitalcommons.wpi.edu/etd-theses/1029.

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"The increasing global demands for materials and energy directly contributes to the devastating ecological, toxicological, and climate consequences currently observed. Biomass-derived energy and materials offers a sustainable option to meeting current needs and developing novel materials. Hydrothermal carbonization is a promising green platform to valorize biomass by forming Hydrochar, a carbon solid. Hydrothermal carbonization converts biomass using liquid phase water at elevated temperatures (180-350 °C), forming organic intermediates, which dehydrate and polymerize to form the solid materia

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34

Ji, Haixia. "Uniqueness of Equilibria for Complex Chemical Reaction Networks." The Ohio State University, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=osu1307122057.

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35

Bassolino, Giovanni. "Tuning ultrafast chemical reaction dynamics in photoactive proteins." Thesis, University of Oxford, 2015. http://ora.ox.ac.uk/objects/uuid:42c19c5c-c6df-48e9-bb1c-8a7098eca8b4.

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This dissertation investigates the origins of tunable and efficient photochemistry in three different photoactive proteins, bacteriorhodopsin (BR), rhodopsin (RHO) and green fluorescent protein (GFP). In all cases, significant differences exist between the photoreactivity of model chromophores in solution and in the protein environment, in terms of excited state lifetime and efficiency of the primary photochemical process (opsin proteins) or the type of reaction (excited state proton transfer versus C=C double bond photoisomerisation for GFP). The work presented here investigates for each case

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36

Orr-Ewing, Andrew John. "Laser studies of reaction dynamics." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.302888.

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37

Morgan, Meirion. "Reaction problems in stochastic chemistry." Thesis, University of Oxford, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.301256.

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38

Mamtani, Kuldeep. "Carbon-based Materials for Oxygen Reduction Reaction (ORR) and Oxygen Evolution Reaction (OER) in Acidic Media." The Ohio State University, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=osu149376896628355.

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39

Chung, Lung Wa. "Computational studies of the reaction mechanisms and stereochemistry of metal-mediated organic reactions /." View abstract or full-text, 2006. http://library.ust.hk/cgi/db/thesis.pl?CHEM%202006%20CHUNG.

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40

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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41

Byrne, C. S. C. "The modelling of a reaction and reactor for the electrochemical production of geraniol and nerol." Thesis, University of Newcastle Upon Tyne, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.371252.

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42

Reding, Derek James. "Shock induced chemical reactions in energetic structural materials." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/28174.

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Thesis (M. S.)--Aerospace Engineering, Georgia Institute of Technology, 2009.<br>Committee Chair: Hanagud, Sathya; Committee Member: Kardomateas, George; Committee Member: McDowell, David; Committee Member: Ruzzene, Massimo; Committee Member: Thadhani, Naresh.

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43

Karaman, Mustafa. "Chemical Vapor Deposition Of Boron Carbide." Phd thesis, METU, 2007. http://etd.lib.metu.edu.tr/upload/3/12608778/index.pdf.

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Boron carbide was produced on tungsten substrate in a dual impinging-jet CVD reactor from a gas mixture of BCl3, CH4, and H2. The experimental setup was designed to minimise the effect of mass transfer on reaction kinetics, which, together with the on-line analysis of the reactor effluent by FTIR, allowed a detailed kinetic investigation possible. The phase and morphology studies of the products were made by XPS, XRD,micro hardness and SEM methods. XPS analysis showed the existence of chemical states attributed to the boron carbide phase, together with the existence of oxy-boron carbide speci

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44

Nguyen, Nhat Khuong. "Liquid marbles as chemical microreactors." Thesis, Griffith University, 2022. http://hdl.handle.net/10072/419767.

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The miniaturisation of chemical and biological systems has become a research focus since the last century. Compared to conventional bulk reactors, microreactors have numerous advantages such as larger surface-area-to-volume ratio, higher heat and mass transfer rates as well as the reduction in energy demand and waste generation. Miniaturisation also improves control over reaction parameters and enhances reaction safety especially if hazardous substances are involved. The need for miniaturised reaction systems has led to the development of various microreactor platforms such as droplet-based m

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45

Chinnick, S. J. "Computer based elucidation of reaction mechanisms." Thesis, University of Leeds, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.380303.

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46

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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47

Mitarai, Satoshi. "A Lagrangian study of chemical reaction in isotropic turbulence /." Thesis, Connect to this title online; UW restricted, 2004. http://hdl.handle.net/1773/7050.

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48

Volarath, Patra. "Application of Term-Rewriting Grammar in Chemical Reaction Prediction." Digital Archive @ GSU, 2008. http://digitalarchive.gsu.edu/chemistry_diss/21.

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Synthesis planning is a critical process in chemical design. A number of computer programs have been developed to assist the chemists with this procedure. Most of the programs utilize combinations of computational approaches. These have been successfully applied to a number of the synthesis predictions. However, they require numerous rules to screen for potential targets, as well as to keep the system from reaching the combinatorial explosion. This results in the advanced algorithms becoming more complex and parameter-sensitive. This can be problematic, particularly in the cases in which a lar

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49

Parker, Duncan J. "Uncovering features of chemical reaction networks in complex systems." Thesis, University of Southampton, 2018. https://eprints.soton.ac.uk/422229/.

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This thesis introduces a comprehensive atlas of behaviour in the iron-catalysed Belousov-Zhabotinsky reaction across a wide parameter space, under both stirred and unstirred conditions, encompassing variations in the concentrations of sulfuric acid, malonic acid and sodium bromate. All stirred reactions were monitored by UV-vis spectroscopy enabling the definition of concentration-dependent transitions in behaviour including those to chaotic oscillation. A programme was generated to quantify spirals observed in the unstirred reaction. This expanded on the work of Müller et al. by increasing t

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50

Losey, Matthew W. "Novel multiphase chemical reaction systems enabled by microfabrication technology." Thesis, Massachusetts Institute of Technology, 2001. http://hdl.handle.net/1721.1/8634.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 2001.<br>Includes bibliographical references (p. 237-251).<br>Advances in MEMS (micro-electromechanical systems) have enabled some of the "Lab-on-a-Chip" technologies and microfluidics that are pervasive in many of the current developments in analytical chemistry and molecular biology. Coinciding with this effort in micro-analytics has been research in chemical process miniaturization -- reducing the characteristic length scale of the unit operation to improve heat and mass transfer, and ultimately process p

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