Atkins/ de Paula: Physical Chemistry
CHAPTER 1: The Properties of Gases
Part 1 of the text develops the concepts that are needed for the
discussion of equilibria in chemistry. Equilibria include physical
change, such as fusion
Calculations: NWChem, GAMESS (free)
Gaussian, Jaguar, etc. (commercial)
Display molecules: Molden, Molekel,
Avogadro, Chem3D, etc.
The basic concepts
2.1 Work , heat , and energy
2.2 The internal
The Compression Factor
One way to represent the relationship between ideal and real
gases is to plot the deviation from ideality as the gas is
compressed (i.e. as the pressure is increased).