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Animation of an Atom-Molecule Chemical Reaction
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H. Douglas Kutz
University of Tennessee at Chattanooga, Chattanooga, TN 37403 |
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This issue is out of print. |
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The collision theory of chemical reactions is an important topic in the chemistry curriculum that involves examining how a chemical reaction depends on various molecular-level variables. In very simple reactions, these variables include vibrational energy, rotational energy, translational energy, collision geometry, and the chemical forces between atoms. Compared with static drawings in textbooks, animation provides a much more effective means to help students learn to visualize atomic-level collisions. Animation of an Atom-Molecule Chemical Reaction presents an animated simulation of collisions between a bromine molecule and an argon atom. The program illustrates the three different types of collisions that are possible in such a chemical system: (1) dissociation of the bromine molecule, (2) formation of a bromine atom-argon atom complex, and (3) nonreactive scattering. The student chooses a set of initial conditions for the bromine molecule and the argon atom. The equations of motion for the atom-molecule system are numerically integrated and the results displayed via an animated representation of the three-dimensional collision. Since the student supplies the initial conditions, cause-and-effect connections between the initial conditions and the reaction outcome may be discovered. Animation of an Atom-Molecule Chemical Reaction aids the student in understanding the molecular-level aspects of the collision theory of gas-phase reactions. To supplement student-specified parameters, some representative examples of initial conditions are provided in data files. These files can be readily accessed to easily and quickly demonstrate important aspects of the collision theory of chemical reaction. Animation of an Atom-Molecule Chemical Reaction is appropriate for use in a general chemistry class as a demonstration or as a tutorial. It could be used to demonstrate by means of computer animation the aspects of collision theory that are covered in most general chemistry courses. The program is ideally suited for the physical chemistry student. The detailed introduction to collision theory included in the program provides a considerable amount of information concerning molecular-level aspects of collision theory. The ability to specify initial conditions and view the outcome aids in further developing the connection between those initial conditions and the result of the collision. Hardware and Software Requirements Animation of an Atom-Molecule Chemical Reaction requires a Macintosh Plus, SE, Classic, SE/30, or any Macintosh II model. The programs have been tested using Macintosh system software versions 6.0x. Color is not supported. For classroom presentations a large monitor or overhead projection panel is recommended (1). Literature Cited |
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Last Updated: April 26, 2001 Created: December 3, 1996 |
Created by: J. L. Holmes Comments to: jceonline@chem.wisc.edu |
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| © 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved. | |