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##### Module Details

The course is addressed to *non* chemical engineers. It is offered in (intensive) undergraduate level. Following a successful accomplishment of the course, the graduate student is expected to receive an adequate background in fundamental fields of Chemical Engineering. In particular, the student is expected:

- To comprehend the basic principles of thermodynamics, by describing the foundations, the concepts and the Laws; to write and derive the Laws.
- To consolidate the derivation of Thermodynamics using the Fundamental Equation, the Laws and the appropriate mathematical tools.
- Το comprehend basic applications of Chemical Thermodynamics. In particular: to explain and describe: (a) the thermodynamics of chemical reactions using terms such as the equilibrium constant and the thermodynamic functions of the chemical reaction, (b) the thermodynamics of phase transformation in single-component systems and (c) the thermodynamics of solutions.
- To comprehend the basic principles of Chemical Kinetics.
- To get familiarized with setting up mass and energy balances in chemical reactors and comprehend the analysis and operation of the basic types of ideal homogeneous chemical reactors.
- To know the key steps in the mechanism of a heterogeneous catalytic reaction and how to derive the rate equation for a given reaction mechanism.
- To understand the role of mass and heat transfer limitations in determining the observed global reaction rate of a heterogeneous catalytic reaction

On completion of this course the students are expected to possess the following skills/competences:

- Ability to use mathematical tools for deriving Thermodynamics through introduction of new functions and through correlations using partial derivatives
- Competence in (a) performing calculations of changes in thermodynamic functions, work and heat in simple (non-chemical) processes, (b) calculations pertaining to gas mixtures, (c) calculating equilibrium compositions, thermodynamic functions and reaction conditions using data from Thermochemical Tables, (d) technical calculations in processes involving phase, (e) constructing partial pressure-composition diagrams in binary liquid/gas systems and performing pertinent calculations as well as performing calculations and solving problems in cryoscopic, zeseoskopic and osmotic pressure systems
- Ability to analyze kinetic data, for development of rate equations of single chemical reactions as well as ability to analyze multiple reactions.
- Ability to determine for a chemical process the best choice of single ideal reactor or combination of ideal reactors for simple objectives, such as maximization of reactants conversion or yield to desired product.
- Ability for quantitative evaluation of the effect of internal and external mass and heat transfer limitations on the global rate of a heterogeneous catalytic reaction.

There are no prerequisite courses

*Basic Principles of Chemical Thermodynamics.*

Definitions. Thermodynamic systems. Θερμοδυναμικά συστήματα. Intensive and extensive properties. Zeroth Law and temperature. Generalized work. Internal energy and First Law. The fundamental thermodynamic equation. The 2nd Law of thermodynamics. Entropy of a System – Environment – Universe. Reversible processes. Conditions of equilibrium. Thermodynamic functions. Measurable thermodynamic quantities. Thermodynamic equations of state. Maxwell relations. Cyclic processes and Carnot engine.

3rd Law. Nernst-Planck Principle. Joule-Thomson effect.

Molar and partial molar properties.

Thermodynamics of ideal and real gases. Fugacity and Chemical Potential. Lewis-Randall rule

*Thermodynamics of chemical reactions*: Gibbs free energy and chemical reactions at equilibrium. Extent of a chemical reaction. Equilibrium constant and its dependence on temperature and pressure.

*Gibbs Phase Rule*: Phase equilibrium in single component systems.

*General properties of solutions*: Thermodynamic properties of mixing. Phase equilibrium in two-component solutions and mixtures. Real solutions and activity coefficients. Chemical equilibrium in solutions.

*Chemical kinetics:* Reaction rate. Rate equations. Analysis of kinetic data. Extent of reaction and reactant conversion. Multiple reactions: Selectivity and Yield.

*Ideal homogeneous chemical reactors: Ideal b*atch reactors. Ideal continuous reactors (Plug-flow tubular reactors, Ideal continuous stirred tank reactors) and multiple-reactor systems. General features of the different types of ideal homogeneous reactors, mass balances and energy balance, adiabatic temperature rise, multiple steady-states. Comparison of ideal homogeneous reactors, for a single reaction and for multiple-reactions.

*Heterogeneous catalytic processes*: Introduction to Heterogeneous Catalysis. Mechanisms of heterogeneous catalytic reactions and development of mechanistic kinetic models. External and internal transport processes (mass and heat transport) in heterogeneous catalytic systems. Reaction and diffusion within porous catalysts. Global (pseudohomogeneous) rate of a heterogeneous catalytic reaction and effectiveness factors (external, internal, global). Critical interpretation of experimental kinetic data in heterogeneous catalytic reactions – Diagnostic criteria for mass and heat transfer limitations.

- P. Atkins, J. de Paula, “ATKINS’ Physical Chemistry”, 8
^{th}Edition, Oxford University Press, 2006. - K. Denbigh, “The Principles of Chemical Equilibrium”, Cambridge University Press, 1957.
- J. M. Smith, “Chemical Engineering Kinetics”, 3
^{d}Edition, McGraw-Hill, 1981. - H. S. Fogler, “Elements of chemical reaction engineering”, 4th Edition, Pearson New International Edition (Paperback with CD-ROM), Pearson Education. Inc., 2013.
- H. S. Fogler, “Essentials of chemical reaction engineering”, Intl. Edition (Paperback with DVD), Pearson Education Inc., 2011.
- O. Levenspiel, “Chemical Reaction Engineering”, 3
^{rd}Ed. (hardcover), WILEY, 1999. - L.D. Schmidt, “The Engineering of Chemical Reactions”, 2
^{nd}Ed., Oxford University Press, New York, 2005

Homework assignment.

The students are provided with the slides of the lectures (in electronic form) as well as with additional educational material, such as publications in scientific journals. They are also guided in literature search and in retrieving relevant information from the Internet.

- Final written exam
- Mid-term written exam (on volunteer basis). The mid-term exam grade is taken into account only if it is higher than that of the final exam.
- Sets of homework exercises (on volunteer basis). The homework grade (weighted) has a positive contribution to the total grade.
- Presence and active class participation