CHE - 620 and MT-603
Chemical and Materials
Engineering Thermodynamics
Lecture Notes and Homework
The
course expands and deepens the understanding of Chemical Engineering
Thermodynamics obtained in undergraduate studies. The course provides a
more consistent and detailed description of:
▪
Laws of thermodynamics;
▪
Mathematics of fundamental thermodynamic relationships;
▪
Description of equilibria and stability conditions;
▪
Properties of pure materials and thermodynamics of mixtures;
▪
Treatment of gas-liquid, liquid-liquid, gas-solid, and
solid-solid equilibria;
▪
Chemical reaction equilibria.
The course
also provides an introduction to the statistical thermodynamics and
transition state theory. In addition, the course introduces software
tools for estimating thermodynamics of pure materials, solid surfaces
and chemical reactions.
The general objective of the course
is to establish a strong understanding of the thermodynamic fundamentals
of materials and both physical and chemical processes and to ensure the
ability to apply these thermodynamic principles to various chemical
engineering applications in process development, equipment design and
process control.
Specific objectives
include:
-
Establish detailed knowledge in the field of thermodynamics of
materials and chemical processes.
-
Establish the ability to perform thermodynamic analysis of
materials syntheses, processes involving mixing and physical separation
and also processes involving chemical transformations, including
catalytic reactions.
-
Provide an opportunity for students to work in teams and
facilitate problem-solving skills with case studies and class projects.
Schedule for Fall 2016: Monday at 6:15 - 8:45 pm in
Burchard-430
Textbook: H.W. Tester and M. Modell, Thermodynamics and Its
Applications, 3rd Edition, Prentice Hall, ISBN: 978-80139153563.
Recommended: Terrell L. Hill, An Introduction to Statistical
Thermodynamics, Dover Publications, ISBN: 978-0486652429.
Grading:
Homework |
24 |
Class participation |
5 |
Project and presentation |
15 |
Midterm test |
23 |
Final exam |
33 |
Class tests and the final exam will be open book, open
notes. You do not have to memorize lengthy formulas or definitions. You do,
however, need to understand the material and know how to apply it for
solving problems. If you do not know the materials, you will run out time on
the tests.
Homework is due in class. No late homework will be
accepted, for any reason. If you unable to attended the class and still want
to submit your homework, please scan and send it as an Adobe pdf file. You
can miss 1 homework assignment and still receive full credit for it. If you
submit all homework assignments, your lowest homework score will be adjusted
to 100%.
Course outline:
1. The Scope of Classical Thermodynamics
2. Basic Concepts and Definitions
2.1. System and Boundaries
2.2. Primitive Properties
2.3. Classification of Boundaries
2.3.1. The Adiabatic Wall
2.3.2. Simple and Composite Systems
2.4. State of a System
2.5. Stable Equilibrium States
Postulate I
Postulate II
2.6. Thermodynamic Processes
2.7. Derived Properties
2.8. Nomenclature and Units
3. First Law
3.1. Work Interactions
3.2. Adiabatic Work Interactions
3.3. Energy
3.4. Heat Interactions
3.5. The First Law for Closed Systems
3.5.1. Specific Heats
3.5.2. Standard States
3.5.3. Heats of Reactions
3.5.4. Heats of Formation
3.5.5. Process Calculations for the
Ideal gas
3.6. The First Law for Open Systems
3.6.1. Applications of the First Law
for Open Systems
4. Second Law
4.1. Heat Engines
4.2. Reversible Processes
4.3. Thermodynamic Temperature
4.4. The Theorem of Clausius
4.5. Entropy
4.6. Internal Reversibility
4.7. Combined Statement of First and Second Law for Closed
Systems
4.8. Reversible Work of Expansion or Compression in Flow
Systems
4.9. The Chemical Potential
4.9.1. Introduction of the Chemical
Potential
4.9.2. Extensive Properties
4.9.3. Partial Molar Properties
4.9.3.1. Definition and Relationships
4.9.3.2. Graphical Representation:
The Method of Intercepts
4.9.3.3. Independent Variables
5. The Calculus of Thermodynamics
5.1. Fundamental Equations
5.2. Intensive and Extensive Properties
5.3. Methods for Transforming Derivatives
5.4. Legendre Transformations
5.5. Non-Simple Systems
6. Equilibrium Criteria
6.1. Classification of Equilibrium States
6.2. Derivations of the Conditions of Equilibrium in a
Heterogeneous System
6.2.1. Membrane Equilibrium
6.2.2. Phase Equilibria
6.2.3. Chemical Reaction Equilibria
6.3. Applications of the Conditions of Equilibrium in a
Heterogeneous System
6.3.1. Examples
6.3.2. Common Tangent Construction
6.3.3. Phase Rule
7. Stability
7.1. Stable and Unstable Equilibria
7.2. One-Component System
7.2.1. Gibbs Free Energy Function
7.2.2. Clausius-Clapeyron Equation
7.2.3. Triple Points
7.2.4. Critical Points
7.3. General Discussion of Stability Conditions with Respect
to Infinitesimal Fluctuations
7.4. Stability Criteria for Infinitesimal Fluctuations
7.5. Spinodal Line and Critical Point
7.6. Thermodynamic Calculations Associated with the
Nucleation and Growth of Precipitates
7.6.1. Free energy Changes
7.6.2. Selection of the Displacement
Variable
7.6.3. Driving Forces
8. Properties of Pure Materials
8.1. Fundamental Equations
8.2. PVT Behavior of Pure Fluids and the Theorem of
Corresponding States
8.3. PVTN Equations of State
8.3.1. Cubic Equation of State
8.3.2. Volume Translated Cubic
Equation of State
8.3.3. Hard-Sphere Equation of State
8.3.4. Virial Expansions
8.4. Specific Heat of Ideal Gases
8.5. Evaluating Changes in Properties Using Departure
Functions
8.6. Specific Heat and Other Properties of Solids
8.7. Derived Property Representations
8.8. Standard Enthalpy and Gibbs Free Energy of Formation
9. Property Relationships for Mixtures, Fugacities, Activities
9.1. General Approach and Conventions
9.2. PVTN Relations for Mixtures
9.3. Partial Molar Properties
9.4. Generalized Gibbs-Duhem Relation for Mixtures
9.5. Functions of Mixing
9.6. Chemical Potential of a Single Component
9.6.1. Perfect Gas
9.6.2. Real Gases: the Fugacity
Function
9.6.3. Solids and Liquids
9.7. Mixture of Ideal Gases
9.8. Fugacities in a Mixture of Real Gases
9.8.1. Fugacity Coefficient
9.9. Solid and Liquid Solutions: The Activity Function
9.9.1. Ideal Solution
9.9.2. Excess Properties
9.9.3. Raoult’s and Henry’s Laws
9.10. Partial Vapor Pressure of a Solute
9.11. Reversible Work of Mixing and Separation
10. Phase Equilibrium and Stability: Phase Diagrams
10.1. The Phase Rule
10.2. Phase Diagrams
10.2.1. Pure Component
10.3. Binary Solid-Liquid Systems
10.3.1. General Features
10.3.2. Ideal and Nearly Ideal
Systems
10.3.3. Maxima and Minima
10.3.4. Eutectic Points
10.3.5. Peritectic Points
10.3.6. Complex Phase Diagrams
10.3.7. Calculations of Phase
Diagrams
10.4. Binary Liquid-Vapor Systems
10.4.1. General Features
10.4.2. Calculations of Liquid-Vapor
Phase Diagrams
10.4.2.1. The
Differential Approach
10.4.2.2.
Pressure-Temperature Relations
10.4.2.3. The
Integral Approach
10.5. Equilibrium in Systems with Supercritical Components
11. Chemical Equilibria
11.1. Problem Formulation and General Approach
11.2. Conservation of Atoms
11.3. Non-Stoichiometric Formulation
11.4. Stoichiometric Formulation
11.5. Equilibrium Constants
11.6. The Phase Rule for Reacting Systems
11.7. Effect of Chemical Equilibrium on Thermodynamic
Properties
11.8. Le Chatelier Principle
12. Introduction to Statistical Thermodynamics
12.1. Statistical-Mechanical Ensembles and Postulates
12.2. Ideal Monoatomic Gas
12.3. Ideal Monoatomic Crystals
12.4. Lattice Statistics
12.5. Chemical Equilibrium
12.6. Chemical Reaction Rates
13. Thermodynamics of Solid Surfaces
13.1. Crystal Planes, Surface Reconstruction And Relaxation
13.2. Energetics Of Adsorption, Gas Adsorption Isotherms
13.3. Reactions On Solid Surfaces
13.4. Rate Laws For Surface Reactions And Chemical Kinetics
13.5. Rates And Mechanisms Of Surface Reactions
This site:
http://goo.gl/yeQzr (case sensitive)
Lecture notes
and Homework
Web:
Podkolzin.com
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