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Show temperature profile. If one can formulate a practical chemistry modeling question in some approximate manner as a simple reactor simulation, the calculator can then easily be used to determine various trends and effects caused by these proposed changes - even by those with little experience in the execution of kinetic modeling The new GRI-Mech Calculator 3.0, which w e will demonstrate at this conference, takes a practical step toward providing more complex modeling simulations. It features an interactive menu by which the user can design his own simulation of a problem using a series of modules. The connectable units include well-stirred and plug flow reactors with all the available options of version 2.2, input and output streams, and mixing and pressure equalization regions. Any process simulation that might be represented by a specifically configured network of these two reactor types can be conveniently and rapidly investigated using the GRI-Mech mechanism with the version 3.0 calculator. The software also allows loops in which some of the output of a reactor may be entered as partial input to a reactor earlier in the sequence, thus accommodating features such as flue gas recirculation. Various outputs can be interrogated graphically from the remote user's keyboard. Acknowledgment This work was supported by the Gas Research Institute. References 1. M. Frenklach, H. Wang, M. Goldenberg, C.T. Bowman, R.K. Hanson, D.F. Davidson, G.P. Smith, D M . Golden, W . Gardiner, V Lissianski (1995) "Optimized Chemical Kinetic Model for Natural Gas Combustion", International Gas Research Conference Proceedings, Cannes; Gas Research Institute Topical Report GRI-95/0058. 2. C.T. Bowman, R.K. Hanson, W. Gardiner, V. Lissianski, M. Frenklach, M. Goldenberg, G.P. Smith (1997) "GRI-Mech 2.11- An Optimized Detailed Chemical Reaction Mechanism for Methane Combustion and N O Formation and Reburning", Gas Research Institute Topical Report GRI-97/0020. 3. M. Frenklach, H. Wang, M.J. Rabinowitz (1992) Prog. Energy Combust. Sci. 18, 47. 4. R.J. Kee, F.M. Rupley, J.A. Miller (1989) "Chemkin-II: A Fortran Chemical Kinetics Package for the Analysis of Gas-Phase Chemical Kinetics" SAND89-8009, Sandia Nat. Lab.; A.J. Lutz, R.J. Kee, J.A. Miller (1988) "SENKIN: A Fortran Program for Predicting Homogeneous Gas Phase Chemical Kinetics with Sensitivity Analysis" SAND87-8248; R.J. Kee, J.F. Grcar, M.D. Smooke, J.A. Miller (1985) "A Fortran Program for Modeling Laminar One- Dimensional Premixed Flames" SAND85-8240; P. Glarborg, R.J. Kee, J.F. Grcar, J.A. Miller (1991) "PSR: A Fortran Program for Modeling Well-Stirred Reactors" SAND86-8209. 5. R.J. Kee, F.M. Rupley, J.A. Miller (1991) "The Chemkin Thermodynamic Data Base" SAND87-8215B, Sandia Nat. Lab. 8 |