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Full-Text Articles in Engineering
The Advancement Of Experimental And Computation Tools For The Study Of Molten Salt Chemistry To Facilitate The Extraction Of Strategic Elements In Nuclear Applications, Michael Stoddard
Theses and Dissertations
Nuclear energy presents environmental benefits, yet the challenge of radioactive waste management persists. Advanced solutions, such as Molten Salt Reactors (MSRs), require a more profound understanding of molten salt chemistry. This research aims to develop tools, including a depletion simulator, molten salt electrochemical simulator, and a fluoride-based thermodynamic reference electrode for electrochemical purification. The computationally inexpensive depletion simulator allows for exploration into extraction and processing strategies for molten salt reactors. An illustrative case study on Mo-99 production from MSRs demonstrates the practical application of the theoretical framework, emphasizing the need for optimization in extraction effectiveness and separation difficulty. The electrochemical …
An Improved Dynamic Particle Packing Model For Prediction Of The Microstructure In Porous Electrodes, Chien-Wei Chao
An Improved Dynamic Particle Packing Model For Prediction Of The Microstructure In Porous Electrodes, Chien-Wei Chao
Theses and Dissertations
The goal of this work is to develop a model to predict the microstructure of Li-ion batteries, specifically focusing on the cathode component of the batteries. This kind of model has the potential to assist researchers and battery manufacturers who are trying to optimize the capacity, cycle life, and safety of batteries. Two dynamic particle packing (DPP) microstructure models were developed in this work. The first is the DPP1 model, which simulates the final or dried electrode structure by moving spherical particles under periodic boundaries using Newton's laws of motion. The experience derived from developing DPP1 model was beneficial in …
Microstructure And Transport Properties Of Porous Li-Ion Electrodes, David E. Stephenson
Microstructure And Transport Properties Of Porous Li-Ion Electrodes, David E. Stephenson
Theses and Dissertations
The goal of this work is to understand the relationships between electrode microstructure and mass transport resistances. One can use this information to predict cell performance from fundamental principles. This work includes new types of particle-scale 3D models for correlating and predicting the effects of electrode microstructure on both ionic and electronic transport. The 3D models imitate the sub-micrometer-scale arrangement of active material particles, carbon, binder, and pores and use FIB/SEM images as a basis for parameterization. The 3D models are based respectively on the statistical mechanics techniques of molecular dynamics and Monte Carlo. The approach closely related to molecular …