A5064827460- Radioactive element chemistry and processing
- Chemical Synthesis and Characterization
- Metal-Organic Frameworks: Synthesis and Applications
- Nuclear Materials and Properties
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Zeolite Catalysis and Synthesis
- Fusion materials and technologies
- Microstructure and mechanical properties
- Inorganic Fluorides and Related Compounds
- Corrosion Behavior and Inhibition
- Soil and Unsaturated Flow
- Clay minerals and soil interactions
- Nuclear materials and radiation effects
- Inorganic and Organometallic Chemistry
- Extraction and Separation Processes
- Advanced Battery Materials and Technologies
- Metallurgical Processes and Thermodynamics
- Bone Tissue Engineering Materials
- Solidification and crystal growth phenomena
- Lanthanide and Transition Metal Complexes
- Advanced Chemical Physics Studies
- Groundwater flow and contamination studies
- Iron oxide chemistry and applications
- Molecular Spectroscopy and Structure
University of Florida
2022-2024
Colorado School of Mines
2018-2021
The fundamental interest in actinide chemistry, particularly for the development of thorium-based materials, is experiencing a renaissance owing to recent and rapidly growing attention fuel cycle reactors, radiological daughters nuclear medicine, efficient stockpile development. Herein, we uncover principles thorium chemistry on example Th-based extended structures such as metal-organic frameworks comparison with discrete systems zirconium analogs, demonstrating remarkable over...
A novel series of heterometallic f-block-frameworks including the first examples transuranic 238 U/239 Pu-metal-organic frameworks (MOFs) and a monometallic 239 Pu-analog are reported. In combination with theoretical calculations, we probed kinetics thermodynamics actinide(An)-MOF formation reported value U-to-Th transmetallation rate. We concluded that uranyl species could be driving force for solid-state metathesis. Density states near Fermi edge, enthalpy formation, band gap, proton...
DFT reveals optimal configuration of ferrocene intercalation into VOPO 4 , and it also shows prefers intercalating at V sites, driven by charge transfer enhanced van der Waals forces.
Actinide–lanthanide separation (ALSEP) has been a topic of interest in recent years as it shown to selectively extract problematic metals from spent nuclear fuel. However, the process suffers slow kinetics, prohibiting being applied facilities. In an effort improve process, many fundamental studies have performed, but majority only focused on thermodynamics separation. Therefore, understand mechanism behind ALSEP molecular dynamics (MD) simulations were utilized obtain and solvation...
The NEB method characterizes ferrocene diffusion through vanadyl phosphate. Energy barriers of 0.25–0.35 eV and 0.11–0.20 are identified along [110] [100] directions. Conformational analysis enriches discussion the mechanisms.
Investigation of solvation effects emphasizes the importance including explicit and implicit solvent for accurate DFT predictions on ion exchange.
The Actinide-Lanthanide Separation Process (ALSEP) is a solvent extraction approach for separating relevant trivalent minor actinides (e.g., americium and curium) from used nuclear fuel. However, relatively slow kinetics in the stripping step of process restricts throughput when scaled industrial implementation. To assist identifying specific kinetic barriers associated with separation, solvation dynamic behaviors two organic extractants current ALSEP implementation,...
Abstract A novel series of heterometallic f ‐block‐frameworks including the first examples transuranic 238 U/ 239 Pu‐metal–organic frameworks (MOFs) and a monometallic Pu‐analog are reported. In combination with theoretical calculations, we probed kinetics thermodynamics actinide(An)‐MOF formation reported value U‐to‐Th transmetallation rate. We concluded that uranyl species could be driving force for solid‐state metathesis. Density states near Fermi edge, enthalpy formation, band gap,...
We use density functional theory to investigate the interactions of cerium, americium, and curium cations with crown ethers. Our calculations reveal that modeled structure cerium integrated within ether is in good agreement experimental data, exhibiting a strong binding energy –3.1 eV. results demonstrate ethers can also bind americium curium, providing insights into potential applications radionuclide sequestration. Finally, we explore impact skeleton modification different through by...
Представлены результаты сравнительной оценки условий синтеза, физико-химических характеристик и биоактивности стеклообразных систем вида 60SiO2–(40–x)CaO–xFe2O3 (x = 0, 1, 3, 5% мол.) 70SiO2–(30–x)CaO–xZnO мол.). Установлено, что температура спекания для получения цинксодержащих порошков составляет 700°C; железосодержащих ‒ 750°C. Найдено, на аморфную природу железо- влияет содержание Fe2O3 ZnO. Железосодержащие системы являются аморфными при допировании в количестве x 0 1% мол.;...