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 37 for “"complex chemistry"”.
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Numerical simulation of reacting flows with complex chemistry using flame embedding
Thesis (Sc. D.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 1997.
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Some Aspects of the Complex Chemistry of Tellurium and Selenium with Sulphur Donor Ligands
Please Refer to Thesis for Abstract.
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Students' Use of Metacognitive Skills While Problem Solving in High School Chemistry
… skills and their abilities to solve complex chemistry problems. The pilot (n = 18 to 26) and study (n = 21) groups were enrolled in separate Ontario Grade 11 university preparation chemistry classes. A quasi-experimental intervention was implemented, using the pilot study as a …
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Large eddy simulation of supersonic combustion with application to scramjet engines
… is developed. PULSAR is capable of simulating complex chemistry combustion in highly compressible flows, based on a second order upwind method to provide a monotonic solution in the presence of high gradient physics. Through the simulation of a non-reacting supersonic coaxial helium jet the …
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Synthesis and crystal chemistry of lanthanide allanites
Metamictization and complex chemistry are major obstacles to the crystal chemical characterization of natural allanites. To overcome these problems, allanites, Ca(REE)Fe²+Al₂Si₃O₁₂(OH), where REE = La, La-Ce, Ce, Nd, Sm, Eu, Gd, Er, Dy, Yb and Y have been synthesized hydrothermally from unbuffered …
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Reaction mechanisms for catalytic partial oxidation systems : application to ethylene epoxidation
… mechanisms have become vital to understand the complex chemistry for catalytic partial oxidation systems. Given that there is selected experimental knowledge on surface species and a large number of unknown thermochemical, rate parameters, the challenge is to integrate the knowledge to identify …
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Exploring chemical reaction complexity : application to hydrogen combustion
… into hydrogen combustion as a prototype of complex chemistry via classical molecular dynamics (CMD) simulations given the presently available reactive force field, ReaxFF. We focus on developing computational and theoretical methods to analyze CMD simulations of hydrogen combustion and glean …
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Conceptual evaluation of hydrogen hybrid combustion for heavy-duty engines using CFD modelling
… Star CCM+ with the In-Cylinder add-on and a complex chemistry combustion model. Multiple pre-chamber geometries were evaluated, focusing on parameters such as the number and flow area of pre-chamber nozzles, pre-chamber volume, and the implementation of a dual injector setup. A simplified …
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Self-assembly of bioactive or electrocatalytic polyaspartamide nanoparticles
… to dates; however, most approaches accompany complex chemistry and multiple purification, thus reducing production yield while increasing costs. Therefore, the goal of this thesis research was to develop a simple but advanced method to control the lifetime and surface functionality of …
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A scalable machine learning approach to thermal and non-thermal order-disorder phase transitions with ab initio accuracy
… potential is optimized and deployed to probe the complex chemistry of liquid tellurium, identifying numerous structural and thermodynamic anoma- lies and exploring the potential existence of a liquid-liquid phase transition analogous to that claimed for water; • Vibrational physics of confined …
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Chemistry models for major gas species estimation and tar prediction in fluidized bed biomass gasification
… downstream cleaning equipment. Apart from the complex chemical pathways involved, tar production is also strongly dependent on the transport processes occurring inside the gasifier. Hence, the development of a detailed model to predict the variation of tar production under different operating …
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IODINE SPECIATION IN MARINE AEROSOL
Iodine chemistry in the marine aerosol plays important roles in the marine boundary layer such as ozone destruction and new aerosol particle formation. Iodine has a complex chemistry in the gas and aerosol phases and to date, what controls iodine speciation, the interactions and roles of individual …
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Ultrafast Investigations of Exciton Dynamics in 0D and 2D Hybrid Semiconductor Nanomaterials
… lasing, and quantum information. However, their complex chemistry and nanometer-scale dimensionality present a barrier to understanding and controlling their structure-function relationships. In this thesis, I utilize ultrafast pump-probe spectroscopy to study the fundamental properties of hybrid …
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Statistical nano-chemo-mechanical assessment of shale by wave dispersive spectroscopy and nanoindentation
… rocks remains a challenging task due to their complex chemistry, heterogeneous microstructure, and multiscale mechanical behaviors. This thesis aims at establishing the link between the composition and mechanics of shale materials at grain scales. A comprehensive experimental program forms the …
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Fast adaptive observers for battery management systems
… for battery management has surged. More complex chemistry cells, such as lithium-ion batteries, with their sensitivity to mishandling, misuse and defects as is evident with recent device recalls due to fires, have historically been treated more conservatively. Maximizing performance of …
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Synthesis of Novel Amino Acids and Peptidomimetics as Tools for Drug Discovery
… amino acids using the Belokon’s nickel complex chemistry with the knowledge acquired at AstraZeneca, a practical route for the preparation of a large range of structurally diverse optically active amino acids from readily available alcohols was implemented. Finally, this new method was …
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Scale-bridging molecular dynamics simulations of plasma-surface interactions
… system in re-entry spacecraft. Due to the complex chemistry at the plasma surface boundaries, it is difficulty to either control or predict the effect of plasma on the patterning or erosion of the material. In this dissertation, atomic scale simulations coupled with micromechanics models …
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Understanding the role of calcium on the reaction mechanism of geopolymer cements through addition of nucleation seeds
… of phases in other alkali activated blends of complex chemistry. The fundamental understanding gained through this research can pave a way for large-scale adaptation of alkaline cement technology. The research output will enable engineers to understand the early age reaction mechanism, the …
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Automatic reaction mechanism generation :
… petroleum resources. These dynamic systems have complex chemistry and are often difficult and expensive to probe experimentally, making detailed chemical kinetic modeling an attractive option for simulating and predicting macroscopic observables such as ignition delay or CO₂ concentrations. This …
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