A free program for the simulation of dynamic infrared (IR) spectra is presented. The program simulates the spectrum of two exchanging IR peaks based on simple input parameters. Larger systems can be simulated with minor modifications. The program is available as an executable program for PCs or can be run in MATLAB on any operating system. Source…

SCILAB is a lesser-known program (than MATLAB) for numeric simulations and has the advantage of being free software. A challenging software-based activity to analyze the most common linear reversible inhibition types with SCILAB is described. Students establish typical values for the concentration of enzyme, substrate, and inhibitor to simulate…

Oscillating chemical reactions (OCRs) have been known since 1828, with the Belousov-Zhabotinskii (BZ) reaction the most studied example. Initially, OCRs were considered to be special cases due to the small number detected and because the oscillatory behavior did not seem to agree with the second law of thermodynamics. However, OCRs have become…

Describes an intermediate level mechanics course based on the solution of problems by computer. The nature of these problems and their solution by computer is discussed, and the sources of the programs indicated. (Author/TS)

Describes an undergraduate physical chemistry experiment in which the kinetics of the various reactions involved in the flash photolysis of water are analyzed on a computer. (MLH)

Describes four experiments at the college freshman and sophomore levels which incorporate pre-lab viewing of visual aids, open-ended laboratory experiences, and use of the low-cost digital computer in both CAI and computational modes. (Author/DS)

Discusses the use of the System Dynamics technique in simulating a chemical reaction for kinetic analysis. Also discusses the use of simulation modelling in biology, ecology, and the social sciences, where experimentation may be impractical or impossible. (MLH)

Discusses student use of the computer with mathematical models and with laboratory simulations. Examples given. (DS)

Describes a computer simulation experiment in which physical chemistry students can determine all of the kinetic parameters of a reaction, such as order of the reaction with respect to each reagent, forward and reverse rate constants for the overall reaction, and forward and reverse activation energies. (MLH)