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 24 for “"detailed chemistry"”.
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Computational Strategies for Faster Combustion Simulations with Detailed Chemistry
… of species concentrations using reduced and detailed chemical mechanisms. Utilization of the CRN approach enabled the implementation of a detailed methane-air chemical mechanism that incorporates 53 chemical species and 325 reactions. The CRN approach was applied to two combustor …
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Numerical simulations of perforated plate stabilized premixed flames with detailed chemistry
The objective of this work is to develop a high efficiency two-dimensional reactive flow solver to investigate perforated-plate stabilized laminar premixed flames. The developed code is used to examine the impact of the operating conditions and the perforated plate design on the steady flame …
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Behavior of a Hypersonic Nozzle Using Finite Rate Chemistry
… behavior of a hypersonic nozzle with finite rate chemistry. First, equations describing steady one dimensional flow through a nozzle are presented. Solution methodologies for frozen, equilibrium and detailed chemistry flow are then discussed. A hydrogen-air chemical reaction mechanism, which is …
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Predicting toxic gas concentrations resulting from enclosure fires using the local equivalence ratio concept linked to fire field models
… fluid dynamics (CFD), which provide detailed variable solutions throughout the computational domain quickly, repeatedly and cheaply compared with fire experiments. A main component of fire effluent are toxic gases and one of the main toxic gases responsible for a significant number of …
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Predictive multiscale computational modeling of nanoparticles in flame reactors
… Flame 156(2009) 1764-1770], by proposing a detailed mechanism for this oxidation process, which includes 30 species and 66 reactions. As the oxidation of TiCl<sub>4</sub> happens in a flame, this detailed mechanism becomes more complex with interactions of the hydrocarbons with oxidizer as …
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Effect of Iron on the Oxidative Capacity of Carbonaceous Nanoparticles
… gaps exist in the understanding of the detailed chemistry of these detrimental effects. Trace metals and carbonaceous material of the nanometer-sized particles contained in PM<sub>2.5 </sub>have been implicated as key players in causing these effects. Here, the role of Fe is investigated …
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Automated reaction mechanism generation : improving accuracy and broadening scope
… generate and use such structures with quantum chemistry or force field codes to obtain more reliable thermochemistry estimates for cyclic structures without human intervention. Ultimately, the result of these updates is improved usefulness and reliability of the software system as a predictive …
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Multi-Physics Co-Simulation of Engine Combustion and Exhaust Aftertreatment system: Development of a Multi-Physics Co-Simulation Framework of Engine Combustion and Exhaust Aftertreatment for Model-Based System Optimisation
The incorporation of detailed chemistry models in internal combustion engine simulations is becoming mandatory as new combustion strategies and lower global emissions limits are setting the path towards a more efficient engine cycle simulation tool. In this report, the computational capability of …
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Mean reaction rate closures for nanoparticle formation in turbulent reacting flow
… nanoparticle formation. The simulations couple detailed chemical reaction, particle population dynamics and turbulent flow, and offer the potential to improve the understanding of a range of industrial processes. The numerical behaviour of a mean reaction rate closure based on the direct …
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One-dimensional numerical model for evaporation and oxidation of hydrocarbon fuels
In this work, a detailed chemistry, one-dimensional, reactive-diffusive model is implemented to study the basic aspects of evaporation and oxidation of a thin liquid fuel layer exposed to an incoming premixed flame. In particular, the model is applied to predict the total evaporation and ensuing …
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Mass spectrometric indentification of formaldehyde-induced modifications of peptides and proteins under in vivo protein cross-linking conditions
… been widely used as a cross-linking reagent, the detailed chemistry behind protein cross-linking is not well understood. In vitro studies conducted under extended incubation periods (2 days) have shown that a multitude of amino acids are reactive to formaldehyde and that residue accessibility …
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Numerical Modelling of Sooting Laminar Diffusion Flames at Elevated Pressures and Microgravity
… capable of capturing complex processes such as detailed chemistry, molecular transport, radiation, and soot formation/destruction in laminar diffusion flames. The proposed algorithm represents the current state of the art in combustion modelling, making use of a second-order accurate …
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Modeling secondary organic aerosol formation from biogenic hydrocarbons
… In this work, the Caltech Atmospheric Chemistry Mechanism (CACM) and the Model to Predict the Multi-phase Partitioning of Organics (MPMPO) were updated with detailed chemistry associated with three monoterpene species---alpha-pinene, beta-pinene, and d-limonene. The updated CACM and …
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Autoignition and emission characteristics of gaseous fuel direct-injection compression-ignition combustion
… Manifold (TGLDM) method for the reduction of detailed chemistry, was applied to predict the OH distribution in a combusting non-premixed methane jet. The model failed to predict the OH distribution as indicated by the ensemble-averaged OH-PLIF images, since it cannot account for fluctuations …
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Turbulent combustion simulation in realistic gas-turbine combustors
… species are taken into account using a tabulated detailed chemistry approach and an assumed shape PDF to account for turbulence effects. The purpose of this study is to validate and compare the effectiveness of these models in predicting complex combustion and to improve upon for the defects …
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Multiscale modeling of chemical vapor deposition and plasma etching
… The speed advantage enables simulation of detailed chemistry. Plasma etching presents a very similar multiscale problem and a strategy for linked plasma etching simulations is presented. Finally, a study of ionized physical vapor deposition of aluminum is presented as an example of …
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Studies of PF Resole / Isocyanate Hybrid Adhesives
… energies of the hybrid adhesive bondlines. More detailed chemistry and morphological studies were performed with cross-polarization nuclear magnetic resonance and 13C, 15N-doubly labeled PMDI. A spectral decomposition method was used to obtain information regarding chemical species concentration …
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Numerical simulation of combustion and unburnt products in dual-fuel compression-ignition engines with multiple injection
… first approach uses direct integration of the detailed chemistry and no turbulence-chemistry interaction modeling. The model produces encouraging agreement between the simulation and experimental data. For reasonable accuracy and computation cost, a minimum cell size of 0.2 millimeters is …
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High Fidelity Chemistry And Radiation Modeling For Oxy-Combustion Scenarios
… atmosphere, several refined gas-phase chemistry and radiative property models have been formulated for laminar to highly turbulent systems. This thesis examines the accuracies of several chemistry and radiative property models employed in computational fluid dynamic (CFD) simulations of …
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Multi-scale modeling of nanosecond plasma assisted combustion
… models for construction and validation of plasma chemistry mechanisms. High-fidelity numerical models can be invaluable in exploring the plasma effects on ignition and combustion in turbulent and high-speed flow environments, owing to the difficulty in performing spatially resolved quantitative …
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