Crust to Core workshop: An introduction to Perple_X

Slides:

Advertisements

Similar presentations

The Kinetic Theory of Gases

Advertisements

Thermodynamics and P-T

Crust to Core workshop: An introduction to Perple_X Sevilla, March 2009 Mark Caddick.

Department of Mechanical Engineering ME 322 – Mechanical Engineering Thermodynamics Lecture 19 Calculation of Entropy Changes.

Solving Equations = 4x – 5(6x – 10) -132 = 4x – 30x = -26x = -26x 7 = x.

Behavior of Substance During A Process P M V Subbarao Professor Mechanical Engineering Department I I T Delhi Selection of Substance for A Happening…..

CAUSES OF CHANGE Order and Spontaneity. Enthalpy and Reactions Some reactions happen easily, but some others do not. Sodium and chlorine readily react.

EGR 334 Thermodynamics Chapter 6: Sections 1-5

THERMOCHEMISTRY ENERGY CHANGES ASSOCIATED WITH CHEMICAL REACTION.

Gibbs Phase Rule The number of variables which are required to describe the state of a system: p+f=c+2 f=c-p+2 –Where p=# of phases, c= # of components,

1 Chapter 6 Gases 6.6 The Combined Gas Law. 2 The combined gas law uses Boyle’s Law, Charles’ Law, and Gay-Lussac’s Law (n is constant). P 1 V 1 =P 2.

Volume Changes (Equation of State) Volume is related to energy changes: Mineral volume changes as a function of T: , coefficient of thermal expansion.

Chemistry An Introduction to General, Organic, and Biological Chemistry, Eleventh Edition Copyright © 2012 by Pearson Education, Inc. Chapter 6 Gases 6.6.

Basic Chemistry Chapter 11 Gases Chapter 11 Lecture

The Mole–Mass Relationship How do you convert the mass of a substance to the number of moles of the substance? 10.2.

Prentice-Hall © 2007 General Chemistry: Chapter 7 Slide 1 of 58 CHEMISTRY Ninth Edition GENERAL Principles and Modern Applications Petrucci Harwood Herring.

Mole Conversions Objectives: 1. Explain how to convert between the number 2. Define molar volume of a gas. 3. Determine how to determine the number of.

UNIT 2: REVIEW TIER 5 Solve problems using the idea gas law

1 The ideal gas EOS can be written in many different ways...

Part 3: What data is Perple_X actually using? Crust to Core workshop: An introduction to Perple_X.

Chapter 7: Energy and Chemical Change

Introduction to Thermodynamics Gas Laws. Thermal Expansion in solids Podcast: KQED Quest Lab: “Bridge Thermometer” from 5/4/2010 Thermal Expansion Eq:

Study on Supercritical Fluids Thermodynamics Laboratory Dept. of Chemical Eng. National Taiwan University.

Properties of Materials & Equation of State Mathematical Description of Material Behaviour….. P M V Subbarao Professor Mechanical Engineering Department.

MOLAR VOLUME. molar volume What is the volume of a gas at STP, if it contains 10.4 moles? What is the volume of carbon dioxide gas (STP) if the.

Prentice-Hall © 2002General Chemistry: Chapter 7Slide 1 of 50 Chapter 7: Thermochemistry Philip Dutton University of Windsor, Canada Prentice-Hall © 2002.

Solving Stoichiometry Problems

THERMOCHEMISTRY ENERGY CHANGES ASSOCIATED WITH CHEMICAL REACTION.

10.1 Heat and Heat Capacity Heat (like work) is not a property of the system and is only transfered between the system and the surroundings, as a result.

Gas Stoichiometry LAST PHASE OF STOICHIOMETRY, WOOHOO!!!!!

Chemistry An Introduction to General, Organic, and Biological Chemistry, Eleventh Edition Copyright © 2012 by Pearson Education, Inc. Chapter 6 Gases 6.7.

Basic Chemistry Copyright © 2011 Pearson Education, Inc. 1 Chapter 11 Gases 11.9 Gas Laws and Chemical Reactions Under water, the pressure on a diver is.

1 What is Thermodynamics 1. Understanding why things happens 2. Concerning heat, work, related temperature, pressure, volume and equilibrium 3. Equations.

Notes Over 7.6 Solving a Simple Radical Equation Solve the equation. Check your solution.

Y=3x+1 y 5x + 2 =13 Solution: (, ) Solve: Do you have an equation already solved for y or x?

Unit 6 Test NEXT CLASS Practice and Review Today.

Moles in a Gas  1 mole of gas takes up 22.4 L of space at standard temperature and pressure.  Conversion factor - 1 mole = 22.4 L  Remember this is.

5 minutes Warm-Up Solve. 2) 1).

Solving Equations with Variables on Both Sides. Review O Suppose you want to solve -4m m = -3 What would you do as your first step? Explain.

Gas Laws Review.

Chapter 5 Thermochemistry. Thermodynamics  Study of the changes in energy and transfers of energy that accompany chemical and physical processes.  address.

Physical Chemistry Dónal Leech Ext 3563 Room C205, Physical Chemistry Notes for downloading (powerpoint and word)

© 2013 Pearson Education, Inc. Chapter 7, Section 6 General, Organic, and Biological Chemistry Fourth Edition Karen Timberlake 7.6 The Combined Gas Law.

Chapter 15 Chemical Equilibrium. Equilibrium - Condition where opposing processes occur at the same time. - Processes may be physical changes or chemical.

Titrations. The process of adding measured volumes of an acid or base of known concentrations to an acid or base of unknown concentration until neutralization.

Chapter 10 Causes of Change

View Data 1. The View Data program.

Solution of Thermodynamics: Theory and applications

Solving Equations with the Variable on each side

Thermodynamics: Spontaneity, Entropy and Free Energy

Warm-up #6 2. The balloon in the previous problem will burst if its volume reaches L. Given the initial conditions specified in that problem, determine.

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

CHAPTER 4: Energy Analysis of Closed Systems

Notes Over 9.6 An Equation with One Solution

Chapter 6 Gases 6.6 The Combined Gas Law.

The Aluminosilicate Group:

Basic Chemistry Chapter 11 Gases Chapter 11 Lecture

Solve System by Linear Combination / Addition Method

Molarity (cont.).

Thermodynamic Energy Balances in Solids

Avogadro’s Number: 1 mole = 6.02 x 1023 particles

Chapter 4 ENERGY ANALYSIS OF CLOSED SYSTEMS

8.5 The Combined Gas Law Under water, the pressure on a diver is greater than the atmospheric pressure. The combined gas law comes from the pressure–volume–temperature.

} 2x + 2(x + 2) = 36 2x + 2x + 4 = 36 4x + 4 = x =

Basic Chemistry Chapter 11 Gases Chapter 11 Lecture

C2H6 CH3 B. Empirical Formula

Phase diagrams and phase transitions of unary systems

Mass to volume stoichiometry problems Note handout p. 8

Presentation transcript:

Crust to Core workshop: An introduction to Perple_X Part 3: What data is Perple_X actually using?

Kyanite = Al2SiO5 = Sillimanite What does T’Calc do? Perple_X finds an optimum set of pseudo- compounds for the P, T, X conditions of interest. This is based on available information on the H, S, V of end-members, combining these into solution- phases. Ignoring some complexity (e.g.X), we could write a simple equilibria that we could solve by hand Kyanite = Al2SiO5 = Sillimanite It is univariant, so each P has one unique T at which this occurs, we just need S and V for each phase…

What does T’Calc do? Extract of THERMOCALC molar thermodynamic properties, Table 5 of Holland & Powell, 1998 But these are the values for V, S (and H) at 25 ˚C, atmospheric pressure!

What does T’Calc do? Extract of THERMOCALC molar thermodynamic properties, Table 5 of Holland & Powell, 1998 CP = J mol-1 K-1 CP of kyanite as a function of T, using tabulated values of a, b, c, d

What does T’Calc do? Extract of THERMOCALC molar thermodynamic properties, Table 5 of Holland & Powell, 1998 CP = J mol-1 K-1

What does T’Calc do? Extract of THERMOCALC molar thermodynamic properties, Table 5 of Holland & Powell, 1998 CP = J mol-1 K-1

Thermal expansivity, K-1 What does T’Calc do? Extract of THERMOCALC molar thermodynamic properties, Table 5 of Holland & Powell, 1998 V at T of interest, 1 atm V at 25 ˚C, 1 atm Thermal expansivity, K-1

Bulk modulus (degree of incompressibility) What does T’Calc do? Extract of THERMOCALC molar thermodynamic properties, Table 5 of Holland & Powell, 1998 Bulk modulus (degree of incompressibility) V at T of interest, 1 atm Volume at the P and T of interest (based on the Murnaghan EoS)

This handling of data is explained more fully in: What does T’Calc do? Extract of THERMOCALC molar thermodynamic properties, Table 5 of Holland & Powell, 1998 We can thus use the tabulated data, with the correct set of equations, to extrapolate the thermodynamic properties (V, S & H) to the P and T of interest - this is part of what THERMOCALC does. This handling of data is explained more fully in: HOLLAND, T. J. B. & POWELL, R. (1998), J. Metamorphic Geology, v16, 309-343.