Subject: React 3.21

From: [email-masked] (Mike Whitbeck)
Date: Mon, 16 Oct 1995 16:05:02 -0700

Hello all,

This note is to inform those interested in the availability of a new 
release of my reaction kinetics software. The program is available in
compiled form for the Macintosh, DOS, and OS/2 platforms. I compiled and
tested it on a Mac PPC using system 7.5; the DOS and OS/2 compiles are
courtesy of George McBane (OSU).

Look for React 3.21 in the CCL archives.
(****** this program is not supported, no affialiation with the 
University of California, LLNL or the US Gov't. **************)

A brief reminder. This program takes reaction mechanisms in the form:

      Mechanism from Edelson, J Chem Ed 52, 642 (1975)
      5e-8     O2- + Cs+ --> Cs + O2
      1e-12    Cs+ + e- --> Cs
      3.24e-3     Cs --> Cs+ + e-
      .4       O2-   --> O2 + e-
      this is a comment
      1.76e-16    O2 + Cs --> CsO2
      1.24e-30 O2 + O2 + e- --> O2 + O2-
      1.4e-16     O2  + e- --> O2- 

builds the differential equation set and finds a numerical solution. It
borrows heavily from programs available from [email-masked]

As a bonus specific reactions can be flagged to have their rate constants
adjusted using a least-squares criterion and experimental measurements of
time-concentration profiles.

Sample files and a brief manual are included. Plain text (ascii), and MS 
Word versions.

No promises, warranties not even decent error messages so use at your own risk.

If you use it in published research cite the program please.

Copy and share freely but don't sell, remarket or charge for the program!

Enjoy,

Dr. Michael Whitbeck ([email-masked])
Chemistry & Material Science Division
Lawrence Livermore National Laboratory

****** this program is not supported, no affialiation with the 
University of California, LLNL or the US Gov't. **************