Calculations of phase diagrams using Thermo-Calc software package Equilibrium calculation using the Gibbs energy minimisation 1. The Gibbs energy for a.

Slides:

Advertisements

Similar presentations

The thermodynamics of phase transformations

Advertisements

Lecture 18Multicomponent Phase Equilibrium1 Thermodynamics of Solutions Let’s consider forming a solution. Start with X A moles of pure A and X B moles.

Mechanical & Aerospace Engineering West Virginia University Phase Diagram (1)

CHAPTER 8 Phase Diagrams 8-1.

Chapter 6 Interpretation of Phase Diagrams Phase diagrams summarize in graphical form the ranges of temperature (or pressure) and composition over which.

Solidification and Grain Size Strengthening

The Advanced Chemical Engineering Thermodynamics The retrospect of the science and the thermodynamics Q&A -1- 9/16/2005(1) Ji-Sheng Chang.

Thermodynamic Property Relations

Q&A_ /17/2005(10) Ji-Sheng Chang

Control of Chemical Reactions. Thermodynamic Control of Reactions Enthalpy Bond Energies – Forming stronger bonds favors reactions. – Molecules with strong.

Solidification of Pb-Sn Alloys Teri Mosher University of Illinois Advisor: Professor Krane.

CENG151 Introduction to Materials Science and Selection

Introduction to Materials Science, Chapter 9, Phase Diagrams University of Virginia, Dept. of Materials Science and Engineering 1 Development of microstructure.

EXPERIMENT # 9 Instructor: M.Yaqub

Chapter Outline: Phase Diagrams

Chemistry Thermodynamics Lecture 10 : Phase Diagrams and Solubility Lecture 11 : Solubility (cont.) Lecture 12: Kinetic Coefficients for the Relaxation.

Element Groups (Families)

How to calculate the total amount of  phase (both eutectic and primary)? Fraction of  phase determined by application of the lever rule across the entire.

Lecture 9 Phase Diagrams 8-1.

Chapter 9 Phase Diagrams.

Thermodynamics Basic Review of Byeong-Joo Lee Microstructure Evolution

Physical Chemistry content Physical Chemistry 1 (BSC) Thermodynamics Terms The thermodynamic system First law of thermodynamics Work, heat, internal energy,

Chapter 19 Chemical Thermodynamics HW:

Kinetics and Thermodynamics of Simple Chemical Processes 2-1 Chemical thermodynamics: Is concerned with the extent that a reaction goes to completion.

Introduction to Materials Science, Chapter 9, Phase Diagrams University of Virginia, Dept. of Materials Science and Engineering 1 Growth of Solid Equilibrium.

Microstructure and Phase Transformations in Multicomponent Systems

PHASE DIAGRAMS THEORY AND APPLICATIONS. Some basic concepts u Phase A homogeneous region with distinct structure and physical properties In principle,

© University of South Carolina Board of Trustees Chapt. 17 Thermodynamics Sec. 4 2 nd Law - Quantitative.

CT – 3: Equilibrium calculations: Minimizing of Gibbs energy, equilibrium conditions as a set of equations, global minimization of Gibbs energy, driving.

Thermodynamic data A tutorial course Session 1: Introduction and unary data (part 1) Alan Dinsdale “Thermochemistry of Materials” SRC.

Driving force for solidification This Learning object ‏ will introduce the concept of undercooling and driving force for phase transformations Subject:

Outline: THERMOCALC program – various versions (other programes: MTDATA, FACTSAGE, PANDAT..) Database – pure metals, metalic solutions, intermetalics Macros.

H Davies, D I Head, J Gray, P Quested

Thermo-Calc Software MGI – the challenges and opportunities for CALPHAD NIST Diffusion Workshop May 9 and 10, 2013 P K Mason Thermo-Calc.

Calculating Equilibrium Composition  Example  Cl 2 (g) → 2Cl (g)

Summer School for Integrated Computational Materials Education 2015 Computational Thermodynamics Module Review Katsuyo Thornton, 1 Paul Mason, 2 Larry.

ME 210 Exam 2 Review Session Dr. Aaron L. Adams, Assistant Professor.

 Thermodynamics?  Therma (heat) + Dynamics (study of the causes of motion and changes in motion)  Heat = energy (1 st law?)  Wiki: the branch of physical.

Thermodynamic data A tutorial course Session 6: Modelling Surface Tension Alan Dinsdale “Thermochemistry of Materials” SRC.

Heating curves and  H temperature added energy. Heating curves and  H temperature added energy solidliquidgas.

Phase Diagrams melting / production process / alloying (strength, Tm...) heat treatment microstructure material properties system (e.g. Cu-Ni) components.

EBB 512 – Phase Diagram and Equilibria Lecture 1.

Thermodynamics and the Phase Rule

Analysis of DTA data for binary alloys

Hot Under the Collar (part III) Phase Diagrams

Classical Thermodynamics of Solutions

Equilibrium By Dr. Srimala.

Thermodynamics and the Phase Rule

Phase diagrams of unary and binary systems

Potential diagrams Chemical potential, intensive and extensive parameters Types of phase diagrams Unary diagrams Binary diagrams Ternary diagrams Volatility.

Thermodynamics and the Phase Rule

Solution of Thermodynamics: Theory and applications

Introduction to Materials Science and Engineering

} C = 1 F = 2 P = 1 Gibbs phase rule F = C – P + 2

Classical description of a single component system

Liquid-Liquid Phase Equilibrium

Thermo-Calc software package

Phase diagrams by thermodynamic calculations

Enthalpy, Entropy, and Gibb’s Free Energy

Chapter 4 Revision.

2/16/2019 9:54 PM Chapter 9 Phase Diagrams Dr. Mohammad Abuhaiba, PE.

WARM UP: Any questions on test review?

Thermo-Calc software package

Phase diagrams of pure substances

Thermodynamics Lecture 3

Interpretation of Phase Diagrams

Phase diagrams and phase transitions of unary systems

T l s Full solubility liquid Phase diagram solid g(n) Gibbs Energy

Presentation transcript:

Calculations of phase diagrams using Thermo-Calc software package Equilibrium calculation using the Gibbs energy minimisation 1. The Gibbs energy for a system 2. The Gibbs energy for a phase Unary system: Sn (calculation of melting temperature, plotting thermodynamic functions) Phase diagram for the Sn-Bi system (Temperature - Composition) Calculation of invariant reaction (T, phase compositions, enthalpy) Calculation of thermodynamic properties of liquid phase Calculation of phase fraction diagram for Bi concentration 5, 25 and 43 mol.% Scheil solidification simulation for Sn-Bi alloys Calculation of phase diagram for Fe-C system 1.Stable diagram 2. Metastable diagram Content

The Gibbs for a system and for a phase 1+3+5: G 135 =n 1 G 1 +n 3 G 3 +n 5 G : G 124 =n 1 G 1 +n 2 G 2 +n 4 G : G 134 =n 1 G 1 +n 3 G 3 +n 4 G : G 245 =n 2 G 2 +n 4 G 4 +n 5 G : G 246 =n 2 G 2 +n 4 G 4 +n 6 G : G 235 =n 2 G 2 +n 3 G 3 +n 5 G : G 346 =n 3 G 3 +n 4 G 4 +n 6 G : G 356 =n 3 G 3 +n 5 G 5 +n 6 G 6

The Gibbs for a system and for a phase

Property diagrams for unary system (Sn) T m =505 K (232°C) L=Sn-Bct  H tr = kJ/mol

Phase diagram of the Sn-Bi phase diagram

Calculation of enthalpy (  H) of reaction 1Liq=a(Sn)+b(Bi) X (Sn) X Liq X (Bi) c=(X (Bi) -X (Sn) ) a=(X(Bi)-XLiq)/c b=(X Liq -X (Sn) )/c  H(T inv )=a  H (Sn) +b  H (Bi) -  H Liq  H(412K)= kJ/mol-at. c b a Stoichiometric coefficients a and b of invariant reaction are calculated by lever rule

Calculation of thermodynamic properties of liquid phase Thermodynamic functions of mixing (enthalpy, entropy, Gibbs energy) in Liquid phase at 300°C Activity of Bi and Sn in Liqiud phase at 300°C

Phase fraction diagrams IIIIIII II III

Scheil solidification simulation ξ(liq) n – fraction of liquid calculated by lever rule at T n Nonequilibrium solidification of Cu-Ni alloy D.R. Askeland, P.P. Phule „The science and engineering of materials“ p. 370

Scheil solidification simulation for Sn-5Bi alloy

Scheil solidification simulation for Sn-25Bi alloy

Scheil solidification simulation for Sn-43Bi alloy

Phase relations in the Fe-C system Fig.1. Stable diagramFig. 2. Metastable diagram