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.
|