Course Tittle: Physical ChemistryII
Course Code: CHEM383
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:
DESCRIPTION & OBJECTIVES
Quantum chemistry uses highlevel 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 handson 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 oxidationreduction 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
Week 
Topics 
1. 
Introduction to Atomic and Molecular Structure 
2. 
Basics of Quantum Mechanics (difference between classical and Quantum Mechanics) 
3. 
Schrodinger’s wave equation, Eigen value, Eigen function 
4. 
Operators, orthogonality of wave function 
5. 
Normalized wave function,Motion of particle in three dimensional box 
6. 
Postulates of quantum theory 
7. 
Mathematical treatment of rigid rotator and calculation of bond length of simple molecule.(Classical treatment) 
8. 
Mid Term Exam 
9. 
Quantum Mechanical treatment of Rigid Rotator 
10. 
Probability, Stirling approximation 
11. 
Statistical treatment of entropy. The Boltzman distribution law and partition function 
12. 
Physical significance of partition function. Separation of partition function 
13. 
Partition function and thermodynamics functions like internal energy and entropy. Translational, rotational, vibrational and electronic partition function and their comparison.

14. 
Concept of conductance of electrolytes. Debye–Huckle equation , limiting law and Ionic strength, weak electrolytes 
15. 
Debye–Huckle theory & Activity and activity coefficients of electrolytic solutions.Determination of activities 
16. 
Concentration cells , determination of e.m.f. of concentration cells with and without transference 
17 
Fuel cells and hydrocarbon fuel cells 
18 
Final Term Exam 
RESEARCH PROJECTS & PRACTICALS
Physical Chemistry Lab. (Cr.01)
ASSESSMENT CRITERIA
Mid Term Exam: 15%
Sessional: 15%
Project/Practical work: 25%
Presentation: included in sessional marks
Participation: Nil
Final exam: 45%
RULES AND REGULATIONS
Following are the rules and regulations that students have to abide by in my class