Newest Files
Construction of the Electronic Angular Wave Functions and Probability Distributions of the Hydrogen Atom JCE
Mark David Ellison, Wittenberg University
Thomas S Kuntzelman, Spring Arbor University
John Tippin, Spring Arbor University
A Mathcad template that provides guided inquiry practice with angular functions used as parts of the solutions to the Hydrogen atom Schrodinger equation.
Conventional Entropies and the Third Law of Thermodynamics JCE
Theresa Julia Zielinski, Monmouth University
Todd M. Hamilton, Georgetown College
After fitting a polynomial to heat capacity as a function of temperature data, students calculate the standard molar third law entropy for a solid, a liquid, and a gas.
Effect of Activity Coefficients on Excess Functions and Phase Equilbria JCE
Baudilio Coto, ESCET, Rey Juan Carlos University
Immaculada Suárez, ESCET, Rey Juan Carlos University
In this document students use Maple to explore the relationship between activity coefficients, excess functions, and phase equilibria. start from the activity coefficient as a known property. In this study students examine how some functions change due to activities resulting in excess functions that differ from zero and vapor-liquid diagrams show complex behavior. The model avoids complex iterative procedures. In the end the vapor-liquid equilibrium equations are solved to compute both the isobaric and isothermal binary diagrams. The results are plotted and avialable for student interpretation. Additional exercises are presents for student practice.
Evaluating Volumetric and Other Thermodynamic Properties by Means of Cubic Equations of State JCE
Baudilio Coto, ESCET, Rey Juan Carlos University
Immaculada Suárez, ESCET, Rey Juan Carlos University
In this document students use Maple to determine volumetric properties and compare values obtained from the ideal gas and the Soave (SRK) equations of state. Several aspects of the calculation as the effect of pressure, the lowest available volume, the number of roots, and the relation between volumen and compresibility factor are analyzed.
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.
Exploring Thermodynamics Using Non-traditional Systems: Elastomers and DNA JCE
Jeffrey A. Draves, Monmouth College
In this worksheet thermodynamic analysis is applied to elastomers, in particular DNA stretching to show the application of the first and second laws of thermodynamics to solids of interest to biochemists and biophysicists.
Intermolecular Interactions: Dipole-Dipole, Dipole-Induced Dipole, and London Dispersion Forces JCE
Thomas S Kuntzelman, Spring Arbor University
Masayuki Shibata, University of Medicine and Dentistry of New Jersey
Mathcad tool that permits students to compare various intermolecular interactions.
Maple-Assisted Template for Automatic Calculation of Second Order AA'BB' NMR Spectra JCE
Mihai Scarlete, Bishops University
This paper presents a Maple template for the interpretation and simulation of second order AA'BB' NMR-spectra, starting from the core information offered in a regular, undergraduate physical chemistry course.