PHILIP R. WATSON, PROFESSORB.A. Oxford University, 1974 Department of Chemistry, Oregon State University,
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P-Chem CD
Download a demo version of P-Chem
This highly visual, interactive program is designed to help students better understand the role of molecular characteristics and environmental variables on physical properties. All of the major topic areas of physical chemistry - thermodynamics, quantum chemistry, statistical thermodynamics, kinetics and reaction dynamics, polymers, solid state and surfaces - are covered in 40 individual modules.
Students can interactively investigate the effects of varying system parameters, such as temperature and pressure, over a wide range. Generally, they can select from a range of predefined molecules of various types, or enter the data for a molecule of your choice. The results of changes in molecular properties or system parameters are immediately reflected in colorful plots, animated simulations and movies. In this way they can formulate trends and make predictions (useful for home work assignments). Accompanying each module is explanatory material that briefly reviews the underlying theory, using hyperlinked definitions and biographies.
Included in this text is a question and answer session so students can test their understanding of the material.
Thermodynamics
Real gases - Van der Waals equation of state
Thermochemical enthalpy cycles
3rd Law entropies
Equilibrium
- Vant Hoff equation
- Clausius-Clapeyron equation
- ideal solutions
- phase diagrams
Debye-Huckel law
Quantum chemistry
Simple systems
- particle in a box (1-D, 2-D)
- harmonic oscillator
- rigid rotor
- tunneling through a barrier
Hydrogen atom
- radial functions/energy levels
- wavefunctions
Polyatomic molecules -Huckel theory
Spectroscopy
- rotational spectra of diatomics
- vibrational spectra of diatomics
- IR/Raman spectra of polyatomics
- NMR - spin-spin coupling
Intermolecular forces
Statistical thermodynamics
Boltzmann distributions
- rotational levels
- vibrational levels
Heat capacities of small molecules
Kinetic theory of gases
Distribution of velocities (1-D)
Distribution of speeds
Molecular collision frequency
Flux on surface
Chemical Kinetics
Rate laws
- elementary reactions & order plots
- multistep first-order reactions
Diffusion
Oscillating reactions
Reaction dynamics - PE surface for H + H2 reaction
Macromolecules
Chain configuration
Molar mass by viscosity/osmometry
Solid state
Lattice types
Miller indices
X-ray diffraction
- Bragg equation
- Fourier analysis
Surfaces
Surface structures
Adsorption - Langmuir/BET isotherms
Each module in P-Chem has a standard structure in which the screen is split into two areas called the Text and Work windows.
The Text window provides :
Background - a a quick-reference summary of the underlying theory with hypertext links to definitions, to explanations of related concepts, and to biographical/historical information
Explorations - suggestions of useful parameter variations to try in the Work Window
Questions and Answers - mainly conceptual tests of student understanding of basic principles
In the Work window students can :
In most modules students can choose from list of predefined molecules, solids etc. If they want to investigate a different system, in general they can enter the relevant data directly into the appropriate boxes. In some cases, such as the modules dealing with adsorption isotherms or rate equations, they
choose, or provide, a data file of real experimental data. The values of environmental and molecular variables are displayed in boxes. When a student changes an environmental parameter, the molecular parameter is updated e.g. altering the temperature will cause the mean speed of a molecule to update.
P-Chem is sold by John Wiley and Sons, College Division.
Download a demo version of P-Chem
If you would like to download a demo version of P-Chem - Click here
http://www.chem.orst.edu/PersonalHomePages/watson/pchem/pchem.htm
Last Updated by Philip R. Watson on Monday, September 09, 2002