Friday, December 24, 2010

Fundamentals of Thermodynamics

  • Introduction, laws of thermodynamics, notation. 
  •  Work and processes. 
  •  First and second laws. 
  •  Gibbsian equations, chemical potential. 
  •  Mathematical methods, Legendre transforms. 
  •  Partial derivative game. 
  •  Process evaluation. Residual functions. 
  •  Residual functions and example problems. 
  •  Introduction to statistical mechanics and quantum mechanics. 
  •  Quantum mechanics I. 
  •  Quantum mechanics II. 
  • Check out this link for a description of the rotational energy of a molecule. 
  •  Statistics and ensembles. 
  •  Ensembles and partition functions. 
  •  Semi-classical partition function. 
  •  Properties of ideal gases. 
  •  Properties of ideal gases, examples. 
  •  Chemical equilibria: ideal and real fluids. 
  •  Pair potentials and nonideal behavior. Van der Waals partition functions for mixture, local compositions, activity coefficient models. 
  •  Conformal solution theory. 
  •  Conformal solution theory, pure fluids and mixtures. 
  •  Ideal solutions and partial molar quantities. 
  •  Partial molar properties and fugacity. 
  •  Local composition models. 
  • Applet for plotting radial distribution functions. 
  • Molecular simulation code written as a Java Applet. 
  •  Mixture thermodynamics calculations. 
  •  Local compositions.