Students will examine experimental and computational data to compute heat capacity ratios. This module combines analysis of time-resolved pressure measurements with electronic structure calculations to connect experimentally measured thermodynamic behavior to molecular-level statistical thermodynamics. This module is designed for an upper-level undergraduate Physical Chemistry lab.
Provide a brief overview of the structure of your module or lesson as an enumerated list below:
- Data Filtering and Computational Chemistry
- Directory:
01_pre-lab-activity - Description: Watch some videos and learn about how to filter data and run some basic electronic structure calculations in Psi4
- Time: 0.5-1 hour
- Directory:
- Adiabatic Expansion of Gases
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02_adiabatic-expansion - Description: Examine results from a dynamical version of the Clement-Desormes experiment to determine the heat capacity ratio of gases through Python analysis and statistical mechanics
- Time: 2-3 hours
- Directory: