PChemFall2015

Physical Chemistry I

Course Info

• Course Numbers CHM 4410
• Credit Hours: 4
• Meeting Dates: Aug. 25 - Dec. 4, 2015
  • No Class Nov. 26 & 27
• Meeting Times: Tues. and Thurs., 3:30-4:45 pm in Muma College of Business, 1403
  • Problem Session: Fri., 10:10-11:00 am in CHE303
  • Office Hours: Tues. and Thurs., 2:30-3:30 pm in SCA 433

• Grading:
  • Quiz (40%)
    • To succeed in the quiz, do assigned homework.
  • Midterm (30%) Thurs., Oct. 8, 3:30-4:45 pm
  • Final (30%) Thurs., Dec. 10, 12:30-2:30 pm

Overview

This is the first part of a 2-semester course in thermodynamics. This course will cover the mathematical theory of chemical equilibrium, heat, and work. These are the driving forces behind the operation of Le Châtelier's principle, and are routinely used to understand and control chemical reactions, states of matter, and amount and efficiency of energy production.

Textbooks

• McQuarrie and Simon, Physical Chemistry: A Molecular Approach, University Science Books, 1997. ISBN: 0935702997.

Resources

• Kinetic Theory at HyperPhysics
• Heat Concepts at HyperPhysics
  • Note: McQuarrie says dU = dQ + dW, while Nave says dU = dQ - dW. There is no contradiction, since McQuarrie's dW = -P dV (work done on the system), while Nave's dW = P dV (work done by the system). I prefer the first definition.

Topics

1. Partial Differentiation
2. First Law of Thermodynamics
3. Algebraic Methods
4. Energy, Enthalpy, Entropy, and Free Energy
5. Counting Statistics
6. The Second Law of Thermodynamics
7. Standard States and Energies - Third Law of Thermodynamics
8. Phase Equilibria and Basic Phase Diagrams
9. Thermodynamic Cycles, Examples with Refrigeration and Galvanic Cells

Notes & Homework

• Introduction to P-Chem
• Excel plot and V-solve for van der Waals Equation of State
  • Works fine with LibreOffice
• Homework 1: 16-1 through 16-7, 16-9, H-1, H-4 through H-6, H-10, H-11, 27-1 through 27-7
  • Does the vdW equation of state make a prediction for the density of liquid H2?
  • What is a critical temperature?
  • Who is Fritz London?
• Homework 2: G-1, G-5, H-12, H-13, 16-31 through 16-32, 16-37, 16-38 through 16-40, 16-44, 16-55, 16-56
• Homework 3:
  • Use the Lennard Jones spreadsheet for the following:
    1. Plot Vc vs sigma^3 to find the correlation between the two.
    2. Compute the exact derivative of the Lennard-Jones function for each r in column M, and compare the results to the numerical approximation in column L.
    3. Decrease the x-spacing, dx, in the numerical integration of B2v to 0.05. How does the result change?
  • Use the 2 state model spreadsheet for the following (DG is an abbreviation for Delta G of folding):
    1. Fit a line to DG(T) = DH - T DS
    2. Compute the average of d(beta DG)/dbeta
    3. Compute and plot d(beta DG) / d(beta P) - this should give you an effective folding volume
    4. Compute and plot d(DG) / d[Urea] - this should give you the energetic influence of urea