ReactMD

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

Available 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.


  • There is additional information on 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

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