Diatomic v 2.1 - Statistical Mechanics

In the Statistical Mechanics window, Diatomic can plot distributions at up to four temperatures with color-coded curves for

  • molecular speeds
  • rotational state populations
  • vibrational state populations

as well as plot, as a function of temperature for each type of motion,

  • thermal energy
  • heat capacity
  • entropy
  • molecular partition functions

The statistical mechanical calculations include the effects from anharmonic vibrations, centrifugal distortion, vibration-rotation interaction, low-lying electronic states, and electronic state degeneracy.

The screen image below shows speed distributions for hydrogen at 100, 300, and 1000 K.

Quantum Mechanics