Course Tittle:        Physical Chemistry-II

Course Code:       CHEM-383

Credit Hours:        (3+1)

Instructor:             Dr. Iram Hafiz

Email:                    [email protected]

INTRODUCTION

Statistical thermodynamics plays a vital linking role between quantum theory and chemical thermodynamics, yet students often find the subject unpalatable. Strong emphasis is placed on the physical basis of statistical thermodynamics and the relations with experiment.

The statistical treatment of permits to define the concepts of temperature, heat and entropy strictly from first principles without making use of   empirical or axiomatic approach. It is also a tool (and in some cases a necessary prerequisite) for it understanding concepts used in other subjects related to Solid State Physics, Optical, Electrical and Magnetic Properties, Semiconductors, Magnetic Materials, Superconducting, Materials.we will see how matter behaves on atomic and molecular levels, how this behaviour determines the microscopic and macroscopic properties of matter and how chemical reactions take place.

The study of quantum mechanics is rewarding for several reasons. First, it illustrates the essential methodology of physics. Second, it has been enormously successful in giving correct results in practically every situation to which it has been applied. There is, however, an intriguing paradox. In spite of the overwhelming practical success of quantum mechanics, the foundations of the subject contain unresolved problems in particular, problems concerning the nature of measurement. An essential feature of quantum mechanics is that it is generally impossible, even in principle, to measure a system without disturbing it; the detailed nature of this disturbance and the exact point at which it occurs are obscure and controversial. 

LEARNING OUTCOMES

On completion of the course, the student should be able to:

• account for the physical interpretation of partition functions and be able to calculate thermodynamic properties of model systems with using Boltzmann -, Fermi-Dirac and Bose-Einstein statistics.
• account for the physical interpretation of distribution functions and discuss and show how these can be used in calculations of basic thermodynamic properties.
• calculate physical characteristics of non-ideal gases and liquids using the most common models for fluids.
• account for the fundamental ideas in the Debye-Hückel theory and use the theory for calculations of properties of electrolytes.

DESCRIPTION & OBJECTIVES

Quantum chemistry uses high-level mathematics as a tool to understand atomic and molecular structure and properties, as well as chemical reactivity. The purpose of this course is to provide an introduction to the mathematical foundations of quantum chemistry, as well as a practical and hands-on experience. The objective of statistical thermodynamics is to give a molecular basis for thermodynamics. Thus, it is necessary to define the concepts of thermodynamics at the molecular level. Thermodynamics is built on the concept of equilibrium.The description of this part is to describe the key chemical event in a oxidation-reduction reaction.To assign oxidation numbers to atoms in elements,compounds and ions and to describe electrochemical theories.The objective of electrochemistry is the acquisition of basic knowledge of the electrode kinetics and some relevant thermodynamic aspects. Also the management and prediction of some important redox species to the equilibrium conditions and  knowledge of the main practical applications of electrochemistry for the production of species of interest.

BOOKS & READINGS

1. Atkins P.W., “Physical Chemistry” (6th Ed).ELBS Oxford University Press (1998).

2. Alberty R. A. & Silvey., “Physical Chemistry” (7th Ed). John Wiley and Sons (1992).

3. Barrow G. M., “Physical Chemistry” (5th Ed). McGraw Hill, Inc., (1998).

4. Castellan G. W., “Physical Chemistry” (3rd Ed).Norasa Publishing House. (2004).

CONTENT

 A: Atomic and Molecular Structure

Schrodinger’s wave equation. Postulates of quantum theory. Operators, Eigen value, Eigen function, orthogonality and normalized wave functions. Motion of particle in three dimensional box and idea of degeneracy. Mathematical treatment of rigid rotator and calculation of bond length of simple molecule.

B: Statistical Thermodynamics

Stirling approximation. Probability. Statistical treatment of entropy. The Boltzman distribution law and partition function. Physical significance of partition function. Separation of partition function. Partition function and thermodynamics functions live internal energy and entropy. Translational, rotational, vibrational and electronic partition function and their comparison.

C: Electrochemistry

Concept of conductance of electrolytes. Debye–Huckle equation and limiting law. Ionic strength, weak electrolytes and Debye–Huckle theory. Activity and activity coefficients of electrolytic solutions. Determination of activities. Concentration cells. Determination of e.m.f. of concentration cells with and without transference. Fuel cells and hydrocarbon fuel cells.

WEEKLY COURSE PLAN