CCL Home Page
Up Directory CCL readme3.21.html
The text file is also avilable here


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 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 netlib@ornl.gov

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 (whitbeck1@popcorn.llnl.gov)
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. **************

back to up page
Modified: Thu Oct 22 15:44:40 1998 GMT
Page accessed 5119 times since Sat Apr 17 21:21:42 1999 GMT