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Relevant bibliographies by topics / Local chemical reactivity properties / Dissertations / Theses

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Dissertations / Theses on the topic 'Local chemical reactivity properties'

Author: Grafiati

Published: 5 June 2025

Last updated: 2 August 2025

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1

Foster, Jamie S. "Relating the chemical reactivity of supramolecular hydrogelators and the physical properties of their gels." Thesis, Heriot-Watt University, 2017. http://hdl.handle.net/10399/3400.

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This thesis reports a number of studies that examines low molecular weight hydrogelators forming through in situ chemical reactions and gel the water in which this reaction occurs. This in situ gelation process has allowed a number of chemical and physical reactions and assembly processes to be investigated. Pathway complexity, an exciting concept within chemical systems has been explored with a multi-reactive hydrazone based gelation system that allows different gels to be formed from a single starting point through navigation of the systems' energy landscape. This work inspired the developme

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2

Tanwar, A. "Density based reactivity descriptors: relation to molecular properties and the strength of chemical interactions." Thesis(Ph.D.), CSIR-National Chemical Laboratory, Pune, 2006. http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/2522.

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3

Bergander, Anna. "Local variability in chemical and physical properties of spruce wood fibers /." Stockholm, 2001. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-3105.

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4

Haapakangas, J. (Juho). "Coke properties in simulated blast furnace conditions:investigation on hot strength, chemical reactivity and reaction mechanism." Doctoral thesis, Oulun yliopisto, 2016. http://urn.fi/urn:isbn:9789526213842.

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Abstract The blast furnace – basic oxygen furnace route remains the most utilised process route in the production of steel worldwide. Coke is the main fuel of the blast furnace process, however, coke producers and blast furnace operators are facing significant challenges due to increased demands on coke quality and decrease of prime coking coals. The estimation of coke performance in the industrial process through accurate laboratory analyses is of increasing importance. In this doctoral thesis, the aim was to study phenomena related to coke properties and its analysis methods in blast furnace

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5

Miran, Hussein. "Transition and Rare-Earth metal oxides coatings: Surface characterization, Thermo-mechanical properties, and chemical reactivity." Thesis, Miran, Hussein (2018) Transition and Rare-Earth metal oxides coatings: Surface characterization, Thermo-mechanical properties, and chemical reactivity. PhD thesis, Murdoch University, 2018. https://researchrepository.murdoch.edu.au/id/eprint/42921/.

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This thesis describes a number of scientific studies investigating different interesting properties of rare earth metal oxides desired in different applications via combined experimental measurements and accurate density functional theory (DFT) calculations. The electronic, structural, mechanical and thermodynamic properties of cubic lanthanide sesquioxides are first reported, with a particular focus on the most common dioxide in the lanthanide family, ceria (CeO2). This is followed an investigation into the effect of Hf and Zr dopants on the reduction energies of pure ceria. The reduction ent

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6

Gordon, Wesley Odell. "Metal Oxide Nanoparticles: Optical Properties and Interaction with Chemical Warfare Agent Simulants." Diss., Virginia Tech, 2006. http://hdl.handle.net/10919/29634.

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Materials with length scales in the nanometer regime demonstrate properties that are remarkably different from analogous bulk matter. As a result, researchers are striving to catalog the changes in properties that occur with decreasing size, and more importantly, understand the reason behind novel nanomaterial properties. By learning the true nature of nanomaterials, scientists and engineers can design better materials for a variety of applications. Inert gas-phase condensation synthesis of metal oxide nanoparticles was used to develop materials to explore the optical and chemical properties o

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7

Ruff, Martin [Verfasser]. "Local chemical properties of nanostructured Au-Pd bimetal model catalysts / Martin Ruff." Ulm : Universität Ulm. Fakultät für Naturwissenschaften, 2000. http://d-nb.info/1015211631/34.

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8

Tadanier, Christopher J. "Influence of Operational Characterization Methods on DOM Physicochemical Properties and Reactivity with Aqueous Chlorine." Diss., Virginia Tech, 1998. http://hdl.handle.net/10919/40503.

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The physicochemical properties and chemical reactivity of dissolved organic matter (DOM) are of tremendous practical significance in both natural and engineered aquatic and terrestrial systems. DOM is frequently extracted, fractionated, and concentrated from environmental samples using a variety of operationally defined physical and chemical processes in order to facilitate study of specific physicochemical properties and aspects of its chemical reactivity. This study was conducted to systematically examine the influence of operationally defined physical and chemical characterization methods

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9

Golfetto, Enrico. "Electronic structure and chemical reactivity of transition metals' pseudomorphic layers and supported nanoclusters." Doctoral thesis, Università degli studi di Trieste, 2010. http://hdl.handle.net/10077/3580.

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2008/2009<br>The importance of heterogeneous catalysis in chemical industry and its economic impact in today‟s society motivate the continuous research effort in this field. Transition metals are among the main ingredients of commercial catalysts due to their chemical properties which depend on their surface morphological and electronic structure. It is well known that their catalytic properties can be further improved by tuning particle size in the nanometre range or by alloying different transition metals. Nowadays it is possible to predict the variation of surface chemical properties on th

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10

Bley, Karina [Verfasser]. "Controlling local physico-chemical properties of colloidal particles and their self-assembled structures / Karina Bley." Mainz : Universitätsbibliothek Mainz, 2017. http://d-nb.info/1131391748/34.

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11

Freeman, Gideon. "An investigation into the reactivity and electrochemical properties of "higher" nuclearity clusters with nitrogen heterocyclic ligands : a chemical, electrochemical, and spectroscopic study." Thesis, University of Edinburgh, 1995. http://hdl.handle.net/1842/13854.

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In Chapter One the concept of the surface cluster analogy is discussed and examples are given of its application in resolving the nature of chemisorbed molecules and molecular fragments on metal surfaces. This is then followed by a review of previous studies into the reactivity of metal carbonyl clusters with nitrogen heterocyclic ligands. This highlights the substitution of carbonyl ligands for nitrogen heterocycles and the process of <I>ortho</I>metallation, and emphasises how earlier work has typically concentrated on the trinuclear clusters, with examples involving higher nuclearities bein

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12

Davey, Evan Andrew. "Development of advanced cross conjugated systems and applications in ratiometric sensing: altering the electronic properties of cruciforms and poly(para-phenyleneethynylene)s to elicit differing reactivity and response." Diss., Georgia Institute of Technology, 2012. http://hdl.handle.net/1853/49008.

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This research serves as a meticulous examination into cross-conjugated materials and how alterations of the frontier molecular orbitals can be utilized for applications in "chemical tongue" organic sensing devices. With conjugated materials being used in the development of new sensory devices for detection of metals, bacteria, and chemical warfare agents, the field of organic sensing is growing faster than ever. The purpose of this dissertation is to provide a precedence for the synthesis of new cross-conjugated compounds and outline potential applications of these materials as chemical sensor

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13

Hughes, David. "The local free volume and other properties of synthetic and biopolymers : the effect of chemical and modification, matrix composition and environmental conditions." Thesis, University of Bristol, 2016. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.702746.

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The focus of this thesis is the investigation of changes in the local free volume and related properties in complex polymeric systems of immediate interest to industry using positron annihilation lifetime spectroscopy (PALS) in conjunction with a number of complementary techniques. PALS and differential scanning calorimetry (DSC) were used to investigate the temperature dependence of the local free volume hole size distribution parameters and the thermal transitions in a series of poly( dimethylsiloxane) based elastomers where meta-carborane was incorporated into the elastomer network via two

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14

Bamford, David. "The local free volume and its correlation with the structural, chemical and dynamic properties of branched polymers, polymer electrolytes, highly oriented polyethylene fibres and other polymers." Thesis, University of Bristol, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.251091.

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15

Trazkovich, Alex. "Effect of Copolymer Sequence on Mechanical Properties of Polymer Nanocomposites from Molecular Dynamics Simulations." The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1545930453011375.

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16

Avila, Jocasta Neves Libório de. "Estrutura e ambiente local de dimetil sulfóxido (DMSO) em diferentes meios iônicos." Universidade de São Paulo, 2018. http://www.teses.usp.br/teses/disponiveis/46/46136/tde-07022019-110023/.

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Apesar de ser utilizado há muito tempo como solvente para espécies orgânicas e inorgânicas, bem como carreador de fármacos, muitos aspectos relativos à auto-associação intermolecular do dimetil sulfóxido (DMSO) e às suas interações com espécies iônicas são ainda motivos de controvérsia na literatura. No presente estudo, a estrutura e ambiente local de dimetil sulfóxido (DMSO) em diferentes meios iônicos foram estudados por meio de três abordagens diferentes. Na primeira abordagem, o efeito de não-coincidência Raman (NCR) observado na banda atribuída ao modo ν(S=O) do DMSO, ca. 1050 cm-1,

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17

Tran, Duc Long. "Impact of intrinsic granular porosity on the durability properties of concrete." Thesis, Toulouse 3, 2020. http://www.theses.fr/2020TOU30021.

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La préservation des ressources naturelles et la limitation des émissions de CO2 sont une contribution au développement durable. Dans le cadre de la conception du béton, cette contribution consiste à utiliser des granulats locaux ou recyclés. Cependant, ces derniers peuvent être poreux et de faible qualité. La communauté scientifique est d'accord sur le fait que la porosité intrinsèque des granulats modifie les propriétés de transport du béton, mais dans quelle mesure reste une question. L'objectif de la thèse est d'analyser l'impact de la porosité intrinsèque des granulats grossiers, principal

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18

Bürgel, Christian. "Functionality of noble-metal clusters." Doctoral thesis, Humboldt-Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2009. http://dx.doi.org/10.18452/15887.

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In dieser Dissertation wurden die ungewöhnlichen und einzigartigen Eigenschaften von Edelmetall-Clustern untersucht, die durch Quantum-Confinement im Sub-Nanometer-Bereich entstehen. Dabei zeigt sich, dass die chemischen und physikalischen Eigenschaften und damit die Funktionen nicht vom Festkörper abgeleitet werden können und stark von der Anzahl der Atome abhängen. Die erzielten theoretischen Ergebnisse wurden in enger Zusammenarbeit mit experimentell arbeitenden Partnergruppen erzielt. Dabei hat sich gezeigt, dass durch die enge Kooperation zwischen Theorie und Experiment ein tiefes

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19

Lamouchi, Meriam. "Matériaux moléculaires à propriétés optique et magnétique à base de complexes métalliques polynucléaires : Thiacalixarènes/métaux de transition." Phd thesis, Université Claude Bernard - Lyon I, 2012. http://tel.archives-ouvertes.fr/tel-00976987.

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La conception et la réalisation d'architectures moléculaires de type [Mx(μ-L)yL'z]n, où μ-L est un ligand pontant, L' un ligand terminal, n la charge et M un ion métallique de transition, sont attrayantes de part leurs richesses dans le domaine de la chimie de coordination mais aussi pour leurs applications potentielles dans des domaines tels que le magnétisme, l'optique ou encore la catalyse. Le ligand terminal qui a été choisi pour ce travail est un macrocycle, appelé p-tert-butylsulfonylcalix[4]arène, formé d'unités phénoliques reliées entre elles par des groupements sulfonyle. Dans un prem

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20

Bernhard-Bitaud, Corinne. "Modifications de la matière organique et conséquences sur l'adsorption de l'atrazine dans un sol brun de prairie mis en culture." Vandoeuvre-les-Nancy, INPL, 1995. http://www.theses.fr/1995INPL128N.

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En conditions de plein champ après retournement d'une prairie permanente, on compare pendant cinq ans l'évolution des propriétés d'un sol brun entre deux parcelles, l'une exempte de tout traitement chimique, l'autre désherbée à l'atrazine. On observe au cours du temps une diminution de la stabilité structurale (-30%) et de la teneur en matière organique (- 20%), ainsi qu'une augmentation du rapport isotopique ¹³C/¹²C, du taux d'humification et de l'extractibilité des acides humiques. Toutefois, l'étude des caractéristiques chimiques de la matière organique ne révèle pas de différence majeure e

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21

(8810618), Garrett M. Mitchell. "Morphology, Properties and Reactivity of Nanostructures." Thesis, 2020.

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<div>Metal nanoparticles have long been of paramount importance in many areas such as: emission reduction in cars, hydrogen production via the water-gas shift reaction, and lithium-ion storage in batteries. For these purposes, the size and shape of the nanoparticles have been shown to play a crucial role in improving nanoparticle performance. </div><div><br></div><div>For characterization of nanostructures, the use of transmission electron microscopy (TEM) has been shown to be extremely useful. Via a TEM instrument, one can learn about nanoparticle properties such as: particle size, 3D morpho

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22

Tseng, Cheng-Kuo, and 曾政國. "Studies on reactivity and chemical properties of fullerenes with alkynes and phosphines." Thesis, 2010. http://ndltd.ncl.edu.tw/handle/59413486473138510728.

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碩士<br>國立交通大學<br>應用化學研究所<br>98<br>In this thesis, we used different alkynes to react with phosphines and C60, affording [60]fullerene derivatives with cyclopropane rings.We further compared the differences between the derivatives featured in UV-Vis and CV data. We also discovered that these products decomposed under ambient condition. We find that the rate of phosphine leaving can be accelerated by acids. Another unknown product whose structure characterization is in progress.

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23

(8065844), Jedadiah Floyd Burroughs. "Influence of Chemical and Physical Properties of Poorly-Ordered Silica on Reactivity and Rheology of Cementitious Materials." Thesis, 2019.

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<p>Silica fume is a widely used pozzolan in the concrete industry that has been shown to have numerous benefits for concrete including improved mechanical properties, refined pore structure, and densification of the interfacial transition zone between paste and aggregates. Traditionally, silica fume is used as a 5% to 10% replacement of cement; however, newer classes of higher strength concretes use silica fume contents of 30% or greater. At these high silica fume contents, many detrimental effects, such as poor workability and inconsistent strength development, become much more prominent.

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24

Khan, E., A. Shukla, Aditya N. Jhariya, P. Tandon, and Venu R. Vangala. "Nitrofurantoin-melamine monohydrate (cocrystal hydrate): Probing the role of H-bonding on the structure and properties using quantum chemical calculations and vibrational spectroscopy." 2019. http://hdl.handle.net/10454/17778.

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No<br>Cocrystal monohydrate of nitrofurantoin (NF) with melamine (MELA) has been studied as NF is an antibacterial drug used for the treatment of urinary tract infections. The structure of nitrofurantoin-melamine-monohydrate (NF-MELA-H2O) is characterized by FT-IR and FT-Raman spectroscopy. The energies and vibrational frequencies of the optimized structures calculated using quantum chemical calculations. Supported by normal coordinate analyses and potential energy distributions (PEDs), the complete vibrational assignments recommended for the observed fundamentals of cocrystal hydrate. With th

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25

Kundu, Aniruddha. "Functionalized Graphene-Polymer Systems: Properties and Applications." Thesis, 2019. http://hdl.handle.net/10821/8207.

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The present thesis entitled “Functionalized Graphene-Polymer Systems: Properties and Applications” deals with the preparation, characterization and applications of graphene oxide polymer hybrid systems as well as functionalized graphene. Chapter-1 deals with a brief history about the rising star graphene oxide, evaluation of its synthetic approaches, structural aspects of graphene oxide, preliminary idea about chemical reactivity of graphene oxide, functionalization of graphene oxide by means of both covalent and non-covalent approaches, fluorescence property of graphene oxide and its function

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26

Wang, Ruibing. "Cucurbit[n]uril host-guest complexes: the effects of inclusion on the chemical reactivity and spectroscopic properties of aromatic guest molecules." Thesis, 2007. http://hdl.handle.net/1974/502.

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This thesis deals primarily with supramolecular chemistry based on cucurbit[n]uril (CB[n], n = 7 and 8) host molecules. The research has been focused on the synthesis and characterization of host-guest complexes CB[n] with aromatic guest molecules, and the study of the effects of the host-guest complexation on the chemical reactivity and spectroscopic properties of the included guests, such as their photoreactivity and their UV-visible absorption and emission properties, in aqueous solution. The [4+4] photodimerization of protonated 2-aminopyridine (APH+) occurs stereoselectively to give the

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27

Nokhrin, A. V., V. N. Chuvil’deev, V. I. Kopylov, et al. "Effect of local chemical composition of grain boundaries on corrosive resistance and mechanical properties of ultrafine-grained titanium alloys." 2017. https://ul.qucosa.de/id/qucosa%3A31678.

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