ReactMD

ReactMD uses molecular dynamics to simulate the chemical reactions:A +BC ==> AB + C  
A +B ==>AB and AB ==>A + B

Features

  • Compatable with Windows 95, Windows 98, Windows 2000
  • Easy for students to run
  • Includes class tested examples
  • Multiple views
  • Documentation explaining key concepts
  • Documentation in HTML for easy modification
  • Documentation updates available over the web

Help Files

Click Here for a list of help files

Author

The Program was written by Professor Richard I Masel of the Chemical Engineering Department and The School of Chemical Sciences at the University of Illinois Urbana Champaign.


Click here for instructions about how to run ReactMD on your PC
Click here to visit the ReactMD website
Click here for updates to the documentation

For further information about applications of this program please look in Chapter 9 of R. I. Masel, Principles of Adsorption and Reaction on Solid Surfaces, Wiley 1996 or Chapter 8 of R. I. Masel, Kinetics and Catalysis, Wiley 2000