##### Module Notes

Faculty Member (Members):

Postgraduate, Fall Semester

*Module Type:*Core Courses

*Teaching Language:*English

*Course Code:*GCHEM_Α101

*ECTS Credits:*12

*Module Availability on Erasmus Students:*No

##### Module Details

*Energy and the 1*: Basic concepts and principles. System, environment, interaction, property, work, heat, energy, restraints. The ideal gas. The 1^{st}law of thermodynamics^{st}law of thermodynamics for closed and open systems. Applications to steady-state processes, and to processes involving transients.*Reversibility, entropy and the 2*: Reversible processes, entropy, Clausius’ theorem. The 2^{nd}law of thermodynamics^{nd}law of thermodynamics for closed and open systems. The entropy balance. Reversibility and irreversibility. Applications of the entropy balance. Power generation and refrigeration cycles.*Mathematical foundation of thermodynamics, the combined 1*: Fundamental equations in various representations. Homogeneous functions and the Euler theorem. The Maxwell equations. The Euler equation. The Gibbs-Duhem equation. The equations of state. Legendre transforms. Evaluation of thermodynamic partial derivatives. Applications (calculation of the Joule-Thomson coefficient, etc.). Applications.^{st}and 2^{nd}law*Thermodynamic equilibrium and stability*: Criteria for equilibrium. Stability of thermodynamic systems. The 3^{rd}law of thermodynamics.*Phase equilibrium for single component systems*: Evaluation of the thermodynamic properties of real substances. The virial equation of state. The van der Waals equation of state. The Peng-Robinson equation of state. Cubic equations of state. Evaluation of changes of thermodynamic properties using equations of state. Calculation of pure fluid-phase equilibria. The Gibbs phase rule for a one-component system. The fugacity of a pure gaseous species. The fugacity of a pure liquid phase. The fugacity of a pure solid phase. The computation of vapor pressure from an equation of state. Thermodynamic properties of phase transitions (Clausius-Clapeyron equation, Antoine equation, first- and second-order phase transitions).*Phase equilibrium for multi-component systems*: Thermodynamic description of mixtures. Criteria for phase equilibrium in multi-component systems. Partial molar Gibbs free energy and the generalized Gibbs-Duhem equation. Ideal and excess mixing properties. Estimation of the Gibbs free energy and fugacity of a component in a mixture. Activity coefficient models. Vapor-liquid equilibrium using activity coefficient models or equations of state. Solubility of a gas in a liquid. Solubility of a liquid in a liquid. Solubility of a solid in a liquid, gas or supercritical fluid. Partitioning of a solute among two co-existing liquid phases. Freezing-point depression of a solvent due to the presence of a solute. The freezing point of liquid mixtures. Osmotic pressure.*Combined chemical and phase equilibrium*: Balance equations for reacting systems. Thermodynamics of mechanical and chemical explosions. Production of work. Applications to processes such as combustion and explosion. Introduction to electrochemical cells. Fuel cells and batteries.*Biochemical applications of thermodynamics*. Solubilities of weak acids, weak bases, amino acids and proteins as a function of pH, ionic strength, and temperature. Thermodynamic analysis of fermenters and other bioreactors. Gibbs-Donnan equilibrium and membrane potentials. Protein concentration in an ultracentrifuge.*Additional Topics*: Phase transitions. Thermodynamics of surfaces. Magnetic systems. Nonequilibrium thermodynamics. Thermodynamics of generalized gradient flows.

__Course textbooks__

- I. Sandler,
*Chemical, biochemical and engineering thermodynamics*, 5^{th}Ed., John Wiley & Sons Inc., New York (2016). - J.W. Tester, M. Modell,
*Thermodynamics and its applications*, 3^{rd}Ed., Prentice Hall RTP, Upper Saddle River, New Jersey (1997).

__Additional reading__

- H.B. Callen,
*Thermodynamics and an Introduction to thermostatistics*, 2^{nd}Ed., John Wiley & Sons, New York (1985). - M. Prausnitz, R.N. Lichtenthaler, E.G. de Azevedo,
*Molecular Thermodynamics of Fluid-Phase Equilibria*, 3^{rd}Ed., Prentice Hall RTP, Upper Saddle River, New Jersey (1999).