Catalysis and Reaction Engineering Commons^™

Material Degradation And Analysis Of N-Doped Graphene/Mof Nanocatalysts For Orr In Electrochemical Energy Systems, Niladri Talukder

Dissertations

The development of advanced electrochemical energy conversion and storage systems is crucial for achieving sustainable energy security. As alternatives to precious metal-based catalysts in electrochemical systems, especially for the oxygen reduction reaction (ORR), Nitrogen-doped Graphene with Metal-organic Frameworks (N-G/MOF) nanocatalysts have shown exceptional promise in recent years. This research advances the understanding of N-G/MOF nanocatalysts by systematically examining their structural features, degradation traits, correlated performance losses, and other aspects related to catalytic activities.

First, nitrogen-doped graphene (N-G) nanocatalysts were thoroughly investigated, resolving their physical properties, the influence of synthesis parameters, molecular-level material structures, and chemical and electronic structural details of …

Interaction Of Liquid Phase Diisopropyl Methyl Phosphonate (Dimp) With Material Surrogates For Components Of Soil And Combustion Products Of Metal Fuels, Khushi Sunil Patel

Theses

Combustion products of three different Al-based materials, Al-CaCO₃, Al-SiO₂, and Al-Fe₂O₃ , have been produced to understand their interaction with liquid diisopropyl methyl phosphonate (DIMP), a surrogate for chemical weapon agents. The purpose of this is to see which materials were more effective at DIMP adsorption and decomposition at different temperatures. Prepared materials were characterized using electron microscopy, x-ray powder diffraction, and nitrogen adsorption. Prepared powders were submerged in DIMP and heated in a thermal analyzer, tracking the mass changes as a function of temperature. Surfaces of the recovered materials were studied using …

Decomposition Of Diisopropyl Methylphosphonate (Dimp) Exposed To Elevated Temperatures And Combustion Products Of Reactive Materials, Elif Irem Senyurt

Dissertations

The safe and efficient destruction of chemical weapon agents (CWAs) stockpiles remains a critical global challenge. Understanding the thermophysical properties, decomposition mechanisms, and interactions of CWAs with their environment is crucial for developing effective strategies to mitigate their threats. Diisopropyl methylphosphonate (DIMP) and Dimethyl methylphosphonate are commonly used nerve agent surrogates. This dissertation focuses on DIMP and DMMP, investigates their properties and behavior under conditions relevant to prompt defeat scenarios.

The thermophysical properties of DIMP and DMMP were experimentally characterized, including vapor-liquid surface tension (3-60 °C) and viscosities of neat and aqueous solutions. Results revealed significant non-ideal behavior in aqueous …

Electrochemical Nitrate Reduction To Ammonia On Cu Based Nanoparticles Using Quantum Mechanical Simulations, Kathan Bhavin Shukla

Theses

Nitrate reduction to ammonia (NRA) is critical for environmental remediation and energy conservation, as it can remove harmful nitrate (NO₃^-) from water sources while producing usable ammonia (NH₃). Cu represents one of the most promising non-noble-metal NRA electrocatalysts. However, the intrinsic catalytic activity of Cu facets and their influence under different pH conditions remain unclear, particularly in the presence of ions commonly found in wastewater such as Cl^-, Na⁺, Mg²⁺, and Ca²⁺. Using density functional theory (DFT) calculations, we evaluated the nitrate reduction to ammonia (NRA) pathways …

Cu/Bnx Catalysts For Electrocatalytic Reduction Of Nitrogen And Nitrate Waste, Siming Huo

Dissertations

Ammonia (NH₃) is one of the most important chemicals to the whole human society. The invention of the Haber-Bosch process enabled the industrial production of NH₃. However, owing to the high capital costs of the centralized plant and the equipment and the negative environmental impact, it is no longer suitable for today's needs of human development. As a result, there is an urgent need to investigate sustainable approaches for ammonia production. Among those reported studies, nitrogen reduction (NRR) and nitrate reduction reaction (NO₃RR) are considered applicable in the future. However, after decades of studying …

Preparation And Characterization Of Reactive Composites Combining Boron With Mixed Oxides, Purvam Mehulkumar Gandhi

Theses

Thirteen liquids have been explored as Process Control Agents (PCAs) for high-energy mechanical milling of two metal oxide powders, CuO and Bi₂O₃, with the practical purpose to reduce the sizes of powder particles and refine their crystal structure. Multiple liquid properties have been considered to analyze their effect on evolution of both particle and crystallite sizes during milling for each oxide. Experimental data were analyzed using the δ-AICc (Akaike Information criterion) correlation function applied to linear relations between liquid properties and powder characteristics. Multiple linear correlation models were ranked based on the highest log-likelihood and the …