Critical Evaluation and Thermodynamic Optimization of Calcium-magnesium-manganese-oxygen System PDF Download
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Author: Sourav Panda Publisher: ISBN: Category : Languages : en Pages :
Book Description
"The prediction of thermodynamic properties and phase equilibria of an oxide system can plays an important role in the development and understanding of metal1urgical, ceramic and geological processes. The thermodynamic databases, developed by a critical evaluation and optimization of all existing thermodynamic properties and phase diagram, can help in understanding the reaction mechanism in various industrial processes more clearly and in developing new technology for various industries. As part of a large thermodynamic database development for steelmaking applications, all solid and liquid phases of Ca-Mg-Mn-O system were critically evaluated and optimized in the present study. The optimization of all systems in this study is self-consistent with thermodynamic principles. All the binary and ternary system have been critically evaluated and optimized based upon available phase-equilibrium and thermodynamic data. All thermodynamic models for each solutions used in this study were developed on the basis of their structure. In this way, the configurational entropy of solution can be taken into account properly in the Gibbs energy of solution. The molten oxide was modeled by the Modified Quasichemical Model, which takes into account short-range ordering of second-nearest-neighbor cations in the ionic melt. Extensive solid solutions such as spinel were modeled within the framework of the Compound Energy Formalism with consideration of their complex sublattice crystal structures. Other solid solutions such as monoxide were modeled using random mixing of ions on cation sites using a polynomial expansion of the excess Gibbs energy. All the thermodynamic calculations in the present study were carried out using FactSageTM thermodynamic software." --
Author: Sourav Panda Publisher: ISBN: Category : Languages : en Pages :
Book Description
"The prediction of thermodynamic properties and phase equilibria of an oxide system can plays an important role in the development and understanding of metal1urgical, ceramic and geological processes. The thermodynamic databases, developed by a critical evaluation and optimization of all existing thermodynamic properties and phase diagram, can help in understanding the reaction mechanism in various industrial processes more clearly and in developing new technology for various industries. As part of a large thermodynamic database development for steelmaking applications, all solid and liquid phases of Ca-Mg-Mn-O system were critically evaluated and optimized in the present study. The optimization of all systems in this study is self-consistent with thermodynamic principles. All the binary and ternary system have been critically evaluated and optimized based upon available phase-equilibrium and thermodynamic data. All thermodynamic models for each solutions used in this study were developed on the basis of their structure. In this way, the configurational entropy of solution can be taken into account properly in the Gibbs energy of solution. The molten oxide was modeled by the Modified Quasichemical Model, which takes into account short-range ordering of second-nearest-neighbor cations in the ionic melt. Extensive solid solutions such as spinel were modeled within the framework of the Compound Energy Formalism with consideration of their complex sublattice crystal structures. Other solid solutions such as monoxide were modeled using random mixing of ions on cation sites using a polynomial expansion of the excess Gibbs energy. All the thermodynamic calculations in the present study were carried out using FactSageTM thermodynamic software." --
Author: Sk. Wasiur Rahman Publisher: ISBN: Category : Languages : en Pages : 0
Book Description
Critical assessment of the experimental data and re-optimization of the binary Mg-Zn, Ca-Zn, Al-Zn, Al-Ca systems and the Laves phase in the Mg-Ca system have been performed. A Comprehensive thermodynamic database of the Mg-Ca-Zn and Al-Ca-Zn ternary systems is presented from the constituent binary systems using suitable extrapolation methods. All available as well as reliable experimental data both for the thermodynamic properties and phase boundaries are reproduced within experimental error limits. In the present assessment, the Modified Quasichemical Model in the pair approximation is used for the liquid phase to account for the presence of the short-range ordering properly. The intermediate solid solutions are modeled using the compound energy formalism. Since the literature included contradicting information regarding the ternary compounds in both ternary systems, thermodynamic modeling of phase equilibria is used to determine the most likely description of the two ternary systems and to exclude the self-contradicting experimental observations. The constructed database is used to calculate both the integral and partial thermodynamic properties of the constituent binary systems. Moreover, the liquidus projections, isothermal sections and vertical sections of the ternary systems are also calculated and the invariant reaction points are predicted using the constructed database.
Author: Zi-Kui Liu Publisher: Cambridge University Press ISBN: 0521198968 Category : Science Languages : en Pages : 261
Book Description
Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
Author: Publisher: Elsevier ISBN: 0080457533 Category : Science Languages : en Pages : 545
Book Description
This volume is part of the series on "Chemical Thermodynamics", published under the aegis of the OECD Nuclear Energy Agency. It contains a critical review of the literature on thermodynamic data for inorganic compounds of zirconium. A review team, composed of five internationally recognized experts, has critically reviewed all the scientific literature containing chemical thermodynamic information for the above mentioned systems. The results of this critical review carried out following the Guidelines of the OECD NEA Thermochemical Database Project have been documented in the present volume, which contains tables of selected values for formation and reaction thermodynamical properties and an extensive bibliography. * Critical review of all literature on chemical thermodynamics for compounds and complexes of Zr.* Tables of recommended Selected Values for thermochemical properties* Documented review procedure* Exhaustive bibliography* Intended to meet requirements of radioactive waste management community* Valuable reference source for the physical, analytical and environmental chemist.
Author: N. Saunders Publisher: Elsevier ISBN: 0080528430 Category : Technology & Engineering Languages : en Pages : 497
Book Description
This monograph acts as a benchmark to current achievements in the field of Computer Coupling of Phase Diagrams and Thermochemistry, often called CALPHAD which is an acronym for Computer CALculation of PHAse Diagrams. It also acts as a guide to both the basic background of the subject area and the cutting edge of the topic, combining comprehensive discussions of the underlying physical principles of the CALPHAD method with detailed descriptions of their application to real complex multi-component materials. Approaches which combine both thermodynamic and kinetic models to interpret non-equilibrium phase transformations are also reviewed.
Author: Joseph F. Zemaitis, Jr. Publisher: John Wiley & Sons ISBN: 0470938404 Category : Technology & Engineering Languages : en Pages : 876
Book Description
Expertise in electrolyte systems has become increasingly important in traditional CPI operations, as well as in oil/gas exploration and production. This book is the source for predicting electrolyte systems behavior, an indispensable "do-it-yourself" guide, with a blueprint for formulating predictive mathematical electrolyte models, recommended tabular values to use in these models, and annotated bibliographies. The final chapter is a general recipe for formulating complete predictive models for electrolytes, along with a series of worked illustrative examples. It can serve as a useful research and application tool for the practicing process engineer, and as a textbook for the chemical engineering student.
Author: Publisher: Elsevier ISBN: 0080457517 Category : Technology & Engineering Languages : en Pages : 896
Book Description
In order to quantitatively predict the chemical reactions that hazardous materials may undergo in the environment, it is necessary to know the relative stabilities of the compounds and complexes that may be found under certain conditions. This type of calculations may be done using consistent chemical thermodynamic data, such as those contained in this book for inorganic compounds and complexes of selenium. * Fully detailed authoritative critical review of literature.* Integrated into a comprehensive and consistent database for waste management applications.* CD ROM version.
Author: Publisher: Elsevier ISBN: 0080457541 Category : Science Languages : en Pages : 648
Book Description
In order to quantitatively predict the chemical reactions that hazardous materials may undergo in the environment, it is necessary to know the relative stabilities of the compounds and complexes that may be found under certain conditions. This type of calculations may be done using consistent chemical thermodynamic data, such as those contained in this book for inorganic compounds and complexes of nickel. * Fully detailed authoritative critical review of literature.* Integrated into a comprehensive and consistent database for waste management applications.* CD ROM version.
Author: R. Guillaumont Publisher: ISBN: Category : Science Languages : en Pages : 976
Book Description
This volume is part of the series on "Chemical Thermodynamics", published under the aegis of the OECD Nuclear Energy Agency, and updates and expands the thermodynamic data on inorganic compounds and complexes of uranium, neptunium, plutonium, americium and technetium contained in the previous volumes of the series. A review team, composed of seven internationally recognized experts, has critically reviewed during five years all the scientific literature containing chemical thermodynamic information for the above mentioned systems that has appeared since the publication of the earlier volumes. The results of this critical review carried out following the Guidelines of the OECD NEA Thermochemical Database Project have been documented in the present volume, which contains new tables of selected values for formation and reaction thermodynamical properties and an extensive bibliography.
Author: Sourav Panda
Author: Sourav Panda![Critical Evaluation and Thermodynamic Modeling of Phase Equilibria in Multicomponent Oxide Systems [microform] PDF](https://books.google.com/books/content/images/frontcover/_cQlpwAACAAJ?fife=w80-h100)
Author: In-Ho Jung
Author: Sk. Wasiur Rahman
Author: Zi-Kui Liu
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Author: N. Saunders
Author: Joseph F. Zemaitis, Jr.
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Author: R. Guillaumont