Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 28 for “"kinetic modelling"”.
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Kinetic modelling of eletrospray systems using particle in cell method
Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2022-04-06 without embargo terms
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C.A.R.S. temperature measurements and chemical kinetic modelling of autoignition in a methanol-fuelled internal combustion engine
… are then used as input data for chemical kinetic modelling of end-gas autoignition. Five published mechanisms (Grotheer et al 1992, Grotheer and Kelm 1989, Norton and Dryer 1989, Dove and Warnatz 1983, .and Esser and Warnatz 1987) are used in the autoignition study, and the results for the …
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Detailed Kinetic Modelling of the Oxidation and Combustion of Large Hydrocarbons Using an Automatic Generation of Mechanisms
A mechanism generator code to automatically generate mechanisms for the oxidation and combustion of large hydrocarbons has been successfully modified in this work. The modification was through: (1) improvement of the existing rules such as cyclic-ether reactions and aldehyde reactions, (2) …
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Experimental and kinetic modelling of multicomponent gas/liquid ozone reactions in aqueous phase. Experimental investigation and Matlab modelling of the ozone mass transfer and multicomponent chemical reactions in a well agitatated semi-batch gas/liquid reactor.
Due to the ever increasing concerns about pollutants and contaminants found in water, new treatment technologies have been developed. Ozonation is one of such technologies. It has been widely applied in the treatment of pollutants in water and wastewater treatment processes. Ozone has many …
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Kinetic modelling simulation and optimal operation of fluid catalytic cracking of crude oil: Hydrodynamic investigation of riser gas phase compressibility factor, kinetic parameter estimation strategy and optimal yields of propylene, diesel and gasoline in fluid catalytic cracking unit
… in this research and used to estimate new kinetic parameters for a new six lumps kinetic model based on an industrial unit. Research outputs have resulted in the following major products’ yields: gasoline (plant; 47.31 wt% and simulation; 48.63 wt%) and diesel (plant; 18.57 wt% and …
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Kinetic Modelling Simulation and Optimal Operation of Trickle Bed Reactor for Hydrotreating of Crude Oil. Kinetic Parameters Estimation of Hydrotreating Reactions in Trickle Bed Reactor (TBR) via Pilot Plant Experiments; Optimal Design and Operation of an Industrial TBR with Heat Integration and Economic Evaluation.
… and control, the accurate estimation of kinetic parameters of the relevant reaction scheme are required. This thesis aims to develop a crude oil hydrotreating process (based on hydrotreating of whole crude oil followed by distillation) with high efficiency, selectivity and minimum energy …
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Towards structure and dynamics of metabolic networks
… to cover various aspects of metabolic network modelling, especially regarding the limited availability of detailed kinetic knowledge on reaction rates. It is shown that precise mathematical formulations of problems are needed i) to find appropriate and, if possible, efficient algorithms to …
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Systems biology approaches to the computational modelling of trypanothione metabolism in Trypanosoma brucei
This work presents an advanced modelling procedure, which applies both structural modelling and kinetic modelling approaches to the trypanothione metabolic network in the bloodstream form of Trypanosoma brucei, the parasite responsible for African Sleeping sickness. Trypanothione has previously …
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Hydrogen trapping in bearing steels: mechanisms and alloy design
… computer aided alloy design; thermodynamic and kinetic modelling were employed to design a composition and heat treatment combining (1) fine cementite providing a strong and ductile microstructure, and (2) nano-sized vanadium carbide precipitates acting as hydrogen traps. A novel technique is …
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Time-resolved spectroscopic investigation of N2/H2 nanosecond pulsed discharges and EUV-induced low-temperature plasmas
… spectral fingerprints from shared low-pressure kinetics, and to identify spectroscopic diagnostics that are robust, quantitative, and deployable under tool-relevant constraints. At the core of the work is a calibrated and internally consistent OES framework spanning the three drivers (NPD, EUV …
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Novel methods and models to validate H2 storage in solid state materials
… a novel approach to the detailed micro kinetic modelling; increase the comprehension of absorption and desorption mechanisms; support research efforts in this topic. As side results, a macro and lumped model for the design of generic hydrogen storage tank are developed and validated. The …
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Kinetic Consequences of Surface Oxygen Species during Catalytic C3H6-O2, CO-O2, and COx-H2 Reactions on Transition Metal and Alloy Clusters
… occur on transition metal/alloy clusters via the kinetic coupling of steps that involve activation of carbon containing reactants (C3H6, COx) with co-reactants. The reaction mechanisms for each of these processes involve partial or total oxidations of reactants with distinct reactive oxidants. …
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Developing a selective sphingosine-1-phosphate-5 (s1p5) radiotracer to image oligodendrocytes using preclinical positron emission tomography (PET)
… and dynamic PET scans on naïve rats. Kinetic modelling was conducted on the [18F]TEFM78 PET scans with input function data collected. Results from experiments conducted in this project showed there was co-localisation between S1P5 and Plp1 using in situ hybridisation and between S1P5 …
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Valorisation of waste streams within the agri-food sector
… the release of energy from specific biomass and kinetic modelling of such material in terms of reaction progress, rate of reaction and activation energy associated with each heating rate applied to the material.<br/><br/><b>Note this thesis is heavily redacted for reasons owing to the commercial …
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Statistical modeling strategies for estimation of the arterial input function in dynamic positron emission tomography data analysis
Kinetic modelling of dynamic PET data requires knowledge of tracer concentration in blood plasma, described by the arterial input function (AIF). Arterial blood sampling is the gold standard for AIF measurement, but is invasive and labour intensive. A number of methods have been proposed to …
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Multi-scale chemistry modeling of the thermochemical conversion of biomass in a fluidized bed gasifier
… scale due to the complex interplay of chemical kinetics and transport processes which must be addressed to improve the feasibility of this conversion. In this thesis the multiple scales of the chemical conversion of solid biomass in a fluidized bed biomass gasifier (FBBG) as well as the …
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Investigating the feasibility of characterising gasoline autoignition using a motored engine apparatus
… of the approaches adopted is through chemical kinetic modelling of the autoignition properties of constituent compounds. The results obtained from models, however, are dependent on experimental data for validation. It was the intention of this thesis to provide empirical data that could be used …
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Hydrothermal Carbonisation of Novel Biomasses
… the key macromolecules was then described using kinetic modelling to build a mechanistic model of the overall conversion of biomass to hydrochar. Each of the three biomasses underwent profound chemical changes during the HTC reaction, resulting in much lower oxygen content, and much higher carbon …
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Molecular Separation and Power Generation by Carbon Nanomembranes
… the membrane performance with the help of kinetic modelling and vapor adsorption experiments, we recognize the thickness dependence as a breakdown of the collective water motion.<br /> Additionally, electro–dialysis experiments with intrinsically porous CNMs are also performed. The …
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Single Molecule Fluorescence Studies of Prions and Prion-like Proteins
… mechanism of the spread of PrP, the quantified kinetic profiles allows the determination of the rate constants for these processes through the use of kinetic modelling. This enables the estimation of a simple framework for aggregate propagation through the brain, assuming that doubling of the …
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