Re: CCL:Program to calculate con vs time



Thank you to all that replied to my request for programs to calculate
 concentration vs time given a set of rate constants and initial
 concentrations.
 Numerous people pointed me to the free download of the CKS program
 distributed by IBM - http://www.almaden.ibm.com/st/msim/ (that's the
 QCPE program I mentioned in my original note as 'MSIMPC').  CKS is a
 nice, simple program with a GUI that works quite well.  Thanks go to
 Steve Cabaniss <scabanis &$at$& kent.edu>, Geoff Hutchison
 <hutchisn &$at$& chem.northwestern.edu>, and Sergio Emanuel Galembeck
 <segalemb &$at$& usp.br>.
 There is a graphical user interface for Kinsim and Fitsim call KinTekSim
 that is distributed for free by KinTek Corp at
 http://www.kintek-corp.com/kinteksim.htm  Thanks to George
 Douglas
 Markham <gd_markham &$at$& fccc.edu> for the tip and assistance in getting
 the
 thing running.  KinTekSim appears to be very powerful and flexible, but
 I've found the interface to be just a bit flaky at times.  But hey, it
 is free!
 Dave Price <d.w.price &$at$& reading.ac.uk> was kind enough to e-mail me
 the
 Gear program, which also does this.  Thanks Dave!
 Alimet Ozen <alimetsema &$at$& yahoo.com> suggested the commercial program
 ChemKin (http://www.chemkin.com).
 Finally, I also found the program Gepasi
 (http://gepasi.dbs.aber.ac.uk/softw/gepasi.html).  It is
 written by
 biochemists for biochemists (and thus is capable of dealing with much
 more complex kinetic problems than our comparably simple work).  Of all
 the programs, this has the slickest interface and most options for
 computing kinetics.  It also appears to be quite stable.
 In the end, we're either going with CKS or Gepasi, depending on whether
 simplicity or flexibility/slick GUI arguments win the day.
 Thanks again, all!
 Dave
 David J Giesen wrote:
 >
 > Is anyone aware of a non-commercial computer program available to
 > calculate concentration versus time for a series of reactions with known
 > rates and known initial conditions?
 >
 > I am aware of Kintecus in the CCL archives and http://www.kintecus.com
 > (very nice, but too expensive), Kinsim from
 > http://www.biochem.wustl.edu/cflab/message.html (works just
 fine, but I
 > was hoping for a bit better interface), and MSIMPC from QCPE
 > http://qcpe.chem.indiana.edu (which I haven't tried as it
 costs too much
 > just to get access).
 >
 > That's all I was able to find with all my web and ccl archive searching
 > tricks.  Any other suggestions?
 >
 > Dave
 >
 --
 Dr. David J. Giesen
 Eastman Kodak Company                           david.giesen &$at$& kodak.com
 2/83/RL MC 02216                                (ph) 1-716-58(8-0480)
 Rochester, NY 14650                             (fax)1-716-588-1839