ME4850 -- Thermodynamics of Materials -- A99

ME4850 -- Thermodynamics of Materials -- A99

Learning Objectives

Part I:

Explain the capabilities and limitations of thermodynamic vs. kinetic analyses in materials science and engineering.

Apply the First Law of Thermodynamics (energy balance) to open and closed material systems, including ideal gas compressions and expansions as well as material processes involving phase changes and chemical reactions.

Analyze the spontaneity of a chemical reaction or material process using the Second Law of Thermodynamics, recognizing the need to consider the total entropy change (system plus its surroundings.)

Apply the First and Second Laws of Thermodynamics to consideration of heat and work energy transfers in refrigerators, heat pumps, and heat engines.

Derive the combined statement of the First and Second Laws of Thermodynamics.

Explain the difference between thermal and configurational entropy.

Calculate the configurational entropy of a multicomponent system.

Calculate the standard enthalpy change (D H_T^o) and standard entropy change (D S_T^o) of a phase change or chemical reaction at any temperature using appropriate heat capacity and heat of formation data and Hess's Law, if necessary.

Derive the relationships for the auxiliary thermodynamic functions H, A, and G (i.e., dG= -SdT + VdP) using Legendre transformations to change the independent variables of the combined first and second laws of thermodynamics.

Derive the Maxwell relations and use them, along with the transformation formula if necessary, to find desired thermodynamic relationships in terms of experimentally determinable quantities like heat capacity, thermal expansion coefficient, and compressibility.

Explain in your own words why Hess's Law is valid.

Use the third postulate of thermodynamics and heat capacity data to calculate the absolute standard entropy of a substance at any temperature and the standard entropy change of a chemical reaction at any temperature.

Calculate the standard free energy change (D G_T^o) of a chemical reaction at any temperature using appropriate heat capacity and heat and entropy of formation data and Hess's Law, if necessary.

Explain the following terms in your own words: state function, intensive and extensive properties, configurational entropy, reversible and irreversible processes, adiabatic, isothermal, heat capacity, heat of formation.

Part II:

Derive the Clausius and Clausius-Clapeyron Equations from first principles, and use them where appropriate to determine allowable changes in pressure and temperature to maintain equilibrium between two phases, or to find D H or D V of a phase transformation.

Use van der Waal's or virial equations instead of the ideal gas law as equations of state for real gases.

Define fugacity and find the relationship between fugacity and pressure given an equation of state for a real gas.

Define partial pressure and partial molar free energy.

Derive and use the relationship for the free energy of mixing of ideal gases.

Derive and use the Gibbs-Duhem equation to determine the activity of components in solution.

Demonstrate understanding of the behavior of Raoultian (ideal), Henrian, and regular solutions.

Calculate the phase diagram of a simple binary eutectic system, and demonstrate understanding of the correlation between free energy-composition curves and phase diagrams.

Part III:

Derive from first principles, and use it to determine the equilibrium state for a gaseous chemical reaction.
Use LeChatelier's principle to determine the direction of shift in a reaction equilibrium when equilibrium is disturbed by a change in temperature, pressure, or concentration of a reactant or product.
Determine the maximum oxygen partial pressure that can be tolerated to avoid oxidation of a metal, by calculation using equilibrium constants and by using an Ellingham diagram.
Determine the equilibrium condition for a reaction involving components in condensed solution.

Maintained by: cdemetry@wpi.edu
Last modified: 3 September 1999