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Meeting Materials Science & Technology 2017
Symposium Phase Stability, Diffusion Kinetics, and Their Applications (PSDK-XII)
Presentation Title A Thermodynamic Model for Carbonaceous Electrodes
Author(s) Patrice Chartrand, Philippe Ouzilleau, A´men Gheribi
On-Site Speaker (Planned) Patrice Chartrand
Abstract Scope Calcined cokes, anthracites and graphitic materials are used in several high temperature metallurgical processes as base materials for electrodes because some of their physical properties, such as their electrical conductivity, are adequate. Petroleum and metallurgical cokes contain impurities, like S, Fe, V, Na, etc. that can affect undesired chemical reactions. Recently the authors developed thermodynamic models both for organically bounded elemental impurities in carbon (S, H). This thermodynamic model for graphitizable carbon materials is extended to include impurities, physical properties and their behavior around the graphitization temperature. As impurity contents in cokes tend to increase, thermodynamic analysis of the high temperature behavior of impurities can help explaining the reactions in which they are involved.
Proceedings Inclusion? Definite: At-meeting proceedings


A Regular Solution Model for a Single-phase High Entropy and Enthalpy Alloy
A Thermodynamic Model for Carbonaceous Electrodes
Application Examples of Thermochemical Process Simulation Using Simusage - Introducing Current Projects from Metallurgy and Combustion Technology
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Australian Impact of SOLGASMIX
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CALPHAD Assessment of the Carbon-Hafnium-Zirconium System
Characterization of the Metatectic Reaction in the Iron-boron System
Constrained Gibbs Energy Models for Rate-controlled and Partitionless Phase Transformation Systems
Development of a Mg Diffusivity Database Using Diffusion Multiples and Liquid-Solid Diffusion Couples
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Dissolution of Secondary Phases in Al Alloys Using DICTRA Simulations
Effect of Convection on Phase Selection and Interface Stability in Directional Solidification of Peritectic Alloys
Experimental Demonstration of Simultaneous Measurement of Isotope-free Tracer and Interdiffusion Coefficients
Experimental Studies and Thermodynamic Modeling of the Phase Equilibria of Corrosive Alkali-lead Halides in Combustion of Waste-derived Fuels
Exsolution of Solutes from Particles Formed by High-temperature Gas-to-Particle Conversion Processes
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First-principles Calculations of Factors Contributing to Non-dilute Impurity Diffusion Coefficients in Metals
Gibbs-energy Minimization in FactSage
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High Entropy Alloys and the Search for 3-phase Miscibility Gaps
Improvement of a Mobility Database for the γ Phase in the Co-rich Co-Al-W-Ni System
Influence of Thermodynamics and Diffusion on Reaction Mechanisms during Gas/Solid Reactions
Integrated Experimental and Modelling Approach to the Thermodynamic Database Development for Multi-component Metallurgical and Recycling Systems
Large-scale Comparison between ab Initio and CalPhaD Phase Stabilities
Liquid-solid Diffusion in Liquid Aluminum/Stainless Steel
Multicomponent Diffusion Mobility Descriptions for Co Based Superalloys
Optimization of Compositions and Physical Properties of Salt Systems for Latent Heat Storage in Thermal Solar Energy Applications
Primary Crystallization of Al Nanocrystals in a Al88Y7Fe5 Metallic Glass: Thermodynamic and Kinetic Analyses
Quantitative Defect Chemistry Analysis and Electronic Conductivity Prediction Of (La0.8Ca0.2)0.95FeO3▒δPerovskite
Quantitative simulation of Solid-Liquid Coexistence of Tetragonal and HCP Metals using Phase-Field Crystal Model
Re-assessment of the ZrO2-Y2O3 (YSZ) System Thermodynamic Database
Reaction between High Al Steel and Mold Flux during Continuous Casting: Experiment and Kinetic Simulation Using Thermodynamic Database
Scheil-Gulliver Constituent Diagrams
Search for New Rare Earth-based Alloys
Simulations of Precipitation Kinetics: Elastic Stress Effect and Non-spherical Particles
Structure Evolution, Thermodynamic and Kinetic Properties of Liquid Ni-Al: An ab Initio Molecular Dynamics StudyStructure Evolution, Thermodynamic and Kinetic Properties of Liquid Ni-Al: An ab Initio Molecular Dynamics Study
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Thermochemical Modeling in the Development of Advanced Nuclear Fuels
Thermodynamic Analyzing the Effect of Intermetallic Compounds on Thermal Diffusivity of Mg-La-Zr Alloys
Thermodynamic Database for the Co-Al-W-Ni-Ti-Ta-Cr-based Superalloys
Thermodynamic Optimization of the Na2O-B2O3-SiO2 System
Thermodynamic Simulation on the Chemical Stability of (La0.8Sr0.2)0.98CrxFe1-xO3▒δ
Thermodynamics and Kinetics Studies of the Zr-O System from First-principles Calculations
Thermodynamics of the Mn-Ni-Sb-Yb System and Implications for Interface Stability between Yb14MnSb11 Compound and Ni Electrode
Understanding and Control of Phase Separation in Synthesis of Nanocrystalline TaxHf1-xC Powders
In Situ Synchrotron Studies and Modelling of Austenitisation Kinetics during Continuous Heating in Hypereutectoid Steels

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