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An Introduction to Statistical Mechanics

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Abstract

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 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.

Figure 1. The relative populations of the first 11 rotational states of HCl.

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Version	Download
Mathematica 5.0	IntroStatMech.nb

Version	Download
Mathematica	IntroStatMech.pdf

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Commentary

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Keywords

Audience: Upper-Division Undergraduate;

Domain: Physical Chemistry;

Pedagogy: Computer-Based Learning;

Topics: Mathematics / Symbolic Mathematics; Quantum Chemistry; Statistical Mechanics; Thermodynamics;

JCE Citation