Information
•
Textbooks
•
Media
•
Resources edited by
JCE SymMath: Symbolic Mathematics in Chemistry
Theresa Julia Zielinski Monmouth University West Long Branch, NJ 07764-1898
An Introduction to Statistical Mechanics by Michelle M. Francl, Department of Chemistry, Bryn Mawr College, Bryn Mawr, PA 19010;
[email protected] File Names: IntroStatMech.mcd and IntroStatMech.pdf Keywords: upper division undergraduate; physical chemistry; laboratory instruction; computer-based learning; statistical mechanics; quantum chemistry; spectroscopy; IR spectroscopy, symbolic mathematics
The relative populations of the first 11 rotational states of HCl.
Requires Mathematica 5.0 or higher.
This Mathematica notebook introduces physical chemistry students to the partition function for vibrational and rotational energy. Students start with a review of Sterling’s approximation and proceed to examine the harmonic oscillator partition function. They extend their understanding by
www.JCE.DivCHED.org
•
using their own experimental data or a supplied spectrum to study the fine structure of HCl/DCl or some other diatomic gas. The notebook guides students in their understanding of the effect of temperature on the partition function and the changes in the partition function for different molecules.
Vol. 82 No. 1 January 2005
•
Journal of Chemical Education
175
