Experimental And Theoretical Approaches To Actinide Chemistry
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| Author | : John K. Gibson |
| Publisher | : John Wiley & Sons |
| Total Pages | : 534 |
| Release | : 2018-03-19 |
| Genre | : Science |
| ISBN | : 1119115523 |
A review of contemporary actinide research that focuses on new advances in experiment and theory, and the interplay between these two realms Experimental and Theoretical Approaches to Actinide Chemistry offers a comprehensive review of the key aspects of actinide research. Written by noted experts in the field, the text includes information on new advances in experiment and theory and reveals the interplay between these two realms. The authors offer a multidisciplinary and multimodal approach to the nature of actinide chemistry, and explore the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry. The text covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques. The authors provide contemporary overviews of each topic area presented and describe the current and anticipated experimental approaches for the field, as well as the current and future computational chemistry and materials techniques. In addition, the authors explore the combination of experiment and theory. This important resource: Provides an essential resource the reviews the key aspects of contemporary actinide research Includes information on new advances in experiment and theory, and the interplay between the two Covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques Focuses on the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry Written for academics, students, professionals and researchers, this vital text contains a thorough review of the key aspects of actinide research and explores the most recent advances in experiment and theory.
| Author | : Michael Dolg |
| Publisher | : John Wiley & Sons |
| Total Pages | : 480 |
| Release | : 2015-02-17 |
| Genre | : Science |
| ISBN | : 1118688295 |
The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems. Topics covered include: Relativistic configuration interaction calculations for lanthanide and actinide anions Study of actinides by relativistic coupled cluster methods Relativistic all-electron approaches to the study of f- element chemistry Relativistic pseudopotentials and their applications Gaussian basis sets for lanthanide and actinide elements Applied computational actinide chemistry This book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.
| Author | : Donald T. Reed |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 267 |
| Release | : 2012-09-21 |
| Genre | : Technology & Engineering |
| ISBN | : 1441986901 |
The management and disposal of radioactive wastes are key international issues requiring a sound, fundamental scientific basis to insure public and environmental protection. Large quantities of existing nuclear waste must be treated to encapsulate the radioactivity in a form suitable for disposal. The treatment of this waste, due to its extreme diversity, presents tremendous engineering and scientific challenges. Geologic isolation of transuranic waste is the approach currently proposed by all nuclear countries for its final disposal. To be successful in this endeavor, it is necessary to understand the behavior of plutonium and the other actinides in relevant environmental media. Conceptual models for stored high level waste and waste repository systems present many sCientific difficulties due to their complexity and non-ideality. For example, much of the high level nuclear waste in the US is stored as alkaline concentrated electrolyte materials, where the chemistry of the actinides under such conditions is not well understood. This lack of understanding limits the successful separation and treatment of these wastes. Also, countries such as the US and Germany plan to dispose of actinide bearing wastes in geologic salt deposits. In this case, understanding the speciation and transport properties of actinides in brines is critical for confidence in repository performance and risk assessment activities. Many deep groundwaters underlying existing contaminated sites are also high in ionic strength. Until recently, the scientific basis for describing actinide chemistry in such systems was extremely limited.
| Author | : Paul Erdos |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 219 |
| Release | : 2012-12-06 |
| Genre | : Science |
| ISBN | : 1461335817 |
The authors' aim is to present a review of experimental and theoretical research that has been done to establish and to explain the physical properties of actinide compounds. The book is aimed at physicists and chemists. It was thought useful to collect a large selection of diagrams of experimental data scattered in the literature. Experiment and theory are presented separately, with cross references. Not all work has been included: rather, typical examples are discussed. We apologize to all researchers whose work has not been quoted. Since we report on an active field of research, clearly the data and their interpretation are subject to change. We benefitted greatly from discussions with many of our colleagues, particularly with Drs. G. H. Lander and W. Suski. The help of Mrs. C. Bovey and Ch. Lewis in the preparation of the manuscript, and the artwork and photo graphic work of Ms. Y. Magnenat and E. Spielmann of the Institute of Experi mental Physics of the University of Lausanne, are gratefully acknowledged. Our particular thanks are due to Ms. J. Ubby for her skillful and patient editorial work.
| Author | : National Academies of Sciences, Engineering, and Medicine |
| Publisher | : National Academies Press |
| Total Pages | : 115 |
| Release | : 2019-09-30 |
| Genre | : Science |
| ISBN | : 0309491738 |
Separation science plays a critical role in maintaining our standard of living and quality of life. Many industrial processes and general necessities such as chemicals, medicines, clean water, safe food, and energy sources rely on chemical separations. However, the process of chemical separations is often overlooked during product development and this has led to inefficiency, unnecessary waste, and lack of consensus among chemists and engineers. A reevaluation of system design, establishment of standards, and an increased focus on the advancement of separation science are imperative in supporting increased efficiency, continued U.S. manufacturing competitiveness, and public welfare. A Research Agenda for Transforming Separation Science explores developments in the industry since the 1987 National Academies report, Separation and Purification: Critical Needs and Opportunities. Many needs stated in the original report remain today, in addition to a variety of new challenges due to improved detection limits, advances in medicine, and a recent emphasis on sustainability and environmental stewardship. This report examines emerging chemical separation technologies, relevant developments in intersecting disciplines, and gaps in existing research, and provides recommendations for the application of improved separation science technologies and processes. This research serves as a foundation for transforming separation science, which could reduce global energy use, improve human and environmental health, and advance more efficient practices in various industries.
| Author | : J. Joyce |
| Publisher | : Materials Research Society |
| Total Pages | : 304 |
| Release | : 2004-03-11 |
| Genre | : Technology & Engineering |
| ISBN | : 9781558997400 |
Actinides are an important, if sometimes unwanted, part of highly technological societies. Actinides pose an extreme scientific challenge to the materials research community. Their complex electronic structure results in many abnormal properties that even today are not well understood. The focus of this book is fundamental actinide science and its role in resolving technical challenges posed by actinide materials. Both basic and applied experimental approaches, as well as theoretical modeling and computational simulations, are featured. Topics for the inaugural actinides symposium include: actinide phase stability, transformations and aging; phononic and electronic structure; actinides and the environment; actinide solution and interfacial chemistry; actinide science and technology; theory of actinides - elemental phases, alloys and compounds; and superconductivity, correlated behavior and quantum criticality.
| Author | : Michael Dolg |
| Publisher | : |
| Total Pages | : |
| Release | : 2015 |
| Genre | : SCIENCE |
| ISBN | : 9781118688304 |
| Author | : L.R. Morss |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 4059 |
| Release | : 2007-12-31 |
| Genre | : Science |
| ISBN | : 1402035985 |
The Chemistry of the Actinide and Transactinide Elements is a contemporary and definitive compilation of chemical properties of all of the actinide elements, especially of the technologically important elements uranium and plutonium, as well as the transactinide elements. In addition to the comprehensive treatment of the chemical properties of each element, ion, and compound from atomic number 89 (actinium) through to 109 (meitnerium), this multi-volume work has specialized and definitive chapters on electronic theory, optical and laser fluorescence spectroscopy, X-ray absorption spectroscopy, organoactinide chemistry, thermodynamics, magnetic properties, the metals, coordination chemistry, separations, and trace analysis. Several chapters deal with environmental science, safe handling, and biological interactions of the actinide elements. The Editors invited teams of authors, who are active practitioners and recognized experts in their specialty, to write each chapter and have endeavoured to provide a balanced and insightful treatment of these fascinating elements at the frontier of the periodic table. Because the field has expanded with new spectroscopic techniques and environmental focus, the work encompasses five volumes, each of which groups chapters on related topics. All chapters represent the current state of research in the chemistry of these elements and related fields.
| Author | : Sophie Kervazo |
| Publisher | : |
| Total Pages | : 0 |
| Release | : 2018 |
| Genre | : |
| ISBN | : |
The main question of this thesis is: do we have today the tools to efficiently describe the structure, the bonding and the thermodynamics of actinide systems? This broad question is answered thanks to three studies. The first two are directly applied to the plastic industry and the nuclear plant safety. The last one, more fundamental, concerns the benchmarking of newly developed theoretical approach on f-element systems.First, actinides and transition metal arene-coordinated alkyl cations have been recently proven to be efficient catalysts for ethylene polymerizations. Interestingly, thorium, uranium and zirconium alkyl cations' catalytic activity depends on the solvent. To understand these behaviors and to confirm the tendency of these complexes to engage in unusual-arene coordination, relativistic DFT calculations combined with a characterization of the interaction thanks to the ETS-NOCV method are used. Second, in accident scenario along the reprocessing of spent nuclear fuel, plutonium can be released in various volatile forms (PuO2, PuO3 or PuO2(OH)2, ...). The exploration of these scenarios by the use of simulations requires, among the various parameters, the knowledge of the thermodynamic properties of the possibly formed elements. Our in-silico study focusses on the determination of the enthalpies of formation of the former two species for which experimental uncertainties remain, using multi-configurational relativistic wavefunction method. The last part of the thesis focusses on the benchmark of the B2-PLYP functional for f-element systems, which turns out quite accurate with respect to the experimental data and the gold-standard CCSD(T) method.
| Author | : William J. Evans |
| Publisher | : John Wiley & Sons |
| Total Pages | : 550 |
| Release | : 2019-01-08 |
| Genre | : Science |
| ISBN | : 1119304083 |
An authoritative survey of the science and advanced technological uses of the actinide and transactinide metals The Heaviest Metals offers an essential resource that covers the fundamentals of the chemical and physical properties of the heaviest metals as well as the most recent advances in their science and technology. The authors – noted experts in the field – offer an authoritative review of the actinide and transactinide elements, i.e., the elements from actinium to lawrencium as well as rutherfordium through organesson, the current end of the periodic table, element 118. The text explores the history of the metals, their occurrence and issues of production, and covers a broad range of chemical subjects including environmental concerns and remediation approaches. The authors also offer information on the most recent and emerging applications of the metals, such as in superconducting materials, catalysis, and research into medical diagnostics. This important resource: Provides an overview of the science and advanced technological uses of the actinide and transactinide metals Describes the basic chemical and physical properties of the heaviest metals, and discusses the challenges and opportunities for their technological applications Contains accessible information on the fundamental features of the heaviest metals, special requirements for their experimental study, and the critical role of computational characterization of their compounds Highlights the most current and emerging applications in areas such as superconducting materials, catalysis, nuclear forensics, and medicine Presents vital contemporary issues of the heaviest metals Written for graduate students and researchers working with the actinide and transactinide elements, industrial and academic inorganic and nuclear chemists, and engineers, The Heaviest Metals is a comprehensive volume that explores the fundamental chemistry and properties of the heaviest metals, and the challenges and opportunities associated with their present and emerging technological uses.
