Erica Harvey
Examples of common quantum mechanical procedures and calculations carried out in Mathcad
Erica Harvey, Fairmont State University
A Mathcad template that provides students with instruction for using Mathcad to perform several basic quantum mechanical calculatons.
Modeling Stratospheric Ozone Kinetics, Part I: The Chapman Cycle JCE
Erica Harvey, Fairmont State University
Bob Sweeney, Fairmont State College
The four-step Chapman cycle of stratospheric ozone reactions is used to introduce numerical solutions of complex rate laws and kinetic modeling. By using this Mathcad template students apply a majority of the chemical kinetics concepts taught in standard texts (using first-, second-, and third-order rate constants, writing differential rate laws for each of the species appearing in a chain reaction mechanism, investigating temperature dependence with Arrhenius and other models, and handling photolysis rate constants).
Modeling Stratospheric Ozone Kinetics, Part II: Addition of Hydrogen, Nitrogen and Chlorine JCE
Erica Harvey, Fairmont State University
Bob Sweeney, Fairmont State College
This Mathcad document builds on the Chapman cycle considered in the Part I document to create a more realistic model of stratospheric ozone chemistry. In this document, students are asked first in a series of leading exercises to set up and solve the system of differential equations that includes the kinetics of the NOx and HOx cycles, then to investigate the effects of changes in the input values.