Download or read book Computational and Experimental Study of the Thermodynamics of Uranium cerium Mixed Oxides written by Benjamin Edward Hanken and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The thermophysical properties of mixed oxide (MOX) fuels, and how they are influenced by the incorporation of fission products and other actinides, must be well understood for their safe use in an advanced fuel cycle. Cerium is a common plutonium surrogate in experimental studies of MOX, as it closely matches plutonium's ionic radii in the 3+ and 4+ oxidation states, and is soluble in fluorite-structured UO2. As a fission product, cerium's effects on properties of MOX are also of practical interest. To provide additional insights on structure-dependent behavior, urania solid solutions can be studied via density functional theory (DFT), although approaches beyond standard DFT are needed to properly account for the localized nature of the f-electrons. In this work, DFT with Hubbard-U corrections (DFT+U) was employed to study the energetics of fluorite-structured U[subscript 1-y]Ce[subscript y]O2 mixtures. The employed computational approach makes use of a procedure which facilitates convergence of the calculations to multiple self-consistent DFT+U solutions for a given cation arrangement, corresponding to different charge states for the U and Ce ions in several prototypical cation arrangements. Results indicate a significant dependence of the structural and energetic properties of U[subscript 1-y]Ce[subscript y]O2 on the nature of both charge and cation ordering. With the effective Hubbard-U parameters that reproduce well the measured oxidation-reduction energies for urania and ceria, it was found that charge transfer between U4 and Ce4 ions, leading to the formation of U5+ and Ce3+, gives rise to an increase in the mixing energy in the range of 4-14 kJ/mol of the formula unit, depending on the nature of the cation ordering. In conjunction with the computational approach, high-temperature oxide-melt drop-soltuion calorimetry experiments were performed on eight samples spanning compositions of y = 0.119 to y = 0.815. Room temperature mixing enthalpies of U[subscript 1-y]Ce[subscript y]O2 determined from these experiments show near ideal behavior, in line with the expectations of the computational results. Combination of these theoretical and experimental results yields insight into the plausible degrees of charge transfer within U[subscript 1-y]Ce[subscript y]O2 ; the comparison suggests that although charge transfer between uranium and cerium ions is disfavored energetically, it is likely to be entropically stabilized at the high temperatures relevant to the processing and service of urania-based solid solutions.
Download or read book Chemical Thermodynamics of Uranium written by Ingmar Grenthe and published by Elsevier Science & Technology. This book was released on 1992 with total page 744 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume provides a comprehensive overview on the chemical thermodynamics of those elements that are of particular importance in the safety assessment of radioactive waste disposal systems. This is the first volume in a series of critical reviews to be published on this subject. The book provides an extensive compilation of chemical thermodynamic data for uranium. A description of procedures for activity corrections and uncertainty estimates is given. A critical discussion of data needed for nuclear waste management assessments, including areas where significant gaps of knowledge exist is presented. A detailed inventory of chemical thermodynamic data for inorganic compounds and complexes of uranium is listed. Data and their uncertainty limits are recommended for 74 aqueous complexes and 199 solid and 31 gaseous compounds containing uranium, and on 52 aqueous and 17 solid auxiliary species containing no uranium. The data are internally consistent and compatible with the CODATA Key Values. The book contains a detailed discussion of procedures used for activity factor corrections in aqueous solution, as well as including methods for making uncertainty estimates.
Download or read book Complainte des prisonniers de ce temps sur le paraphrase du Liberame etc written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Specimens of the types of the British and foreign Bible Society s english bibles and Testaments written by and published by . This book was released on 1845 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1979 with total page 782 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Experimental and Theoretical Approaches to Actinide Chemistry written by John K. Gibson and published by John Wiley & Sons. This book was released on 2018-03-19 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Comprehensive Dissertation Index written by and published by . This book was released on 1989 with total page 1016 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Battelle Technical Review written by Battelle Memorial Institute and published by . This book was released on 1952 with total page 1096 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Magnetic Properties of Solids Series 1 written by Cambridge Scientific Abstracts, Inc and published by . This book was released on 1973 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Metals Abstracts written by and published by . This book was released on 1989 with total page 1266 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Chemistry of the Actinide and Transactinide Elements 3rd ed Volumes 1 5 written by L.R. Morss and published by Springer Science & Business Media. This book was released on 2007-12-31 with total page 4059 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Mineral Surfaces written by D. Vaughan and published by Springer. This book was released on 1995 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: 30% discount for members of The Mineralogical Society of Britain and Ireland This text summarises the state-of-the-art in the study of mineral surfaces and some of the key applications of surface science in mineralogy and mineral chemistry. Each chapter covers a particular aspect of the subject and is written by an expert who raises the key issues involved for those requiring an introduction to the subject, whilst highlighting most recent developments. Advanced undergraduates, postgraduates and researchers alike will find this essential reading as it is the first book to review the fast developing field of mineral surfaces.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1972-12 with total page 888 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Download or read book Minerals as Advanced Materials I written by Sergey V. Krivovichev and published by Springer Science & Business Media. This book was released on 2008-03-15 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book comprises papers resulting from the 1st International workshop ‘Minerals as Advanced Materials I’. It is intended as an exchange of ideas between mineralogists and material scientists. The aim is to identify minerals and mineral objects that have or potentially have unique physical, chemical and structural properties that are of interest from the viewpoint of applied mineralogy and material science. The author studied Crystallography at the St.Petersburg State University.
Download or read book Thermal Expansion written by Y. S. Touloukian and published by Springer. This book was released on 1977 with total page 1812 pages. Available in PDF, EPUB and Kindle. Book excerpt: that about 100 journals are required to yield fifty In 1957, the Thermophysical Properties Research percent. But that other fifty percent! It is scattered Center (TPRC) of Purdue University, under the leadership of its founder, Professor Y. S. Touloukian, through more than 3500 journals and other docu began to develop a coordinated experimental, ments, often items not readily identifiable or ob tainable. Over 85,000 references are now in the theoretical, and literature review program covering a set of properties of great importance to science and files. technology. Over the years, this program has grown Thus, the man who wants to use existing data, rather than make new measurements himself, faces steadily, producing bibliographies, data compila a long and costly task if he wants to assure himself tions and recommendations, experimental measure ments, and other output. The series of volumes for that he has found all the relevant results. More often which these remarks constitute a foreword is one of than not, a search for data stops after one or two results are found-or after the searcher decides he these many important products. These volumes are a monumental accomplishment in themselves, re has spent enough time looking. Now with the quiring for their production the combined knowledge appearance of these volumes, the scientist or engineer and skills of dozens of dedicated specialists. The who needs these kinds of data can consider himself very fortunate.
