By H. G. Othmer (auth.), Professor Dr. Klaus H. Ebert, Professor Dr. Peter Deuflhard, Professor Dr. Willi Jäger (eds.)
Read or Download Modelling of Chemical Reaction Systems: Proceedings of an International Workshop, Heidelberg, Fed. Rep. of Germany, September 1–5, 1980 PDF
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Extra info for Modelling of Chemical Reaction Systems: Proceedings of an International Workshop, Heidelberg, Fed. Rep. of Germany, September 1–5, 1980
Example text
Any impZicit method as the above BDF method requires the iterative solution of a nontinear algebraic system per integration step-usually by means of a Newton-like method that uses the Jacobian matrix of the right-hand side of the ordinary differential equation (ODE) system. More recently, so-called semi-impZicit methods have been proposed, which just require the solution of one tinear algebraic system per step-using also the Jacobian matrix. 10,11]. 12]. 10,11] within a user-oriented software package called LARKIN especially designed for the numerical simulation of Zarge chemical reaction systems.
V. L. N. A. Palusinski: A technique for efficient simulation of large dynamical systems. 26 P. 27 P. T. 29 J. Medanic:"Geometric Properties and Invariant Manifolds of the Riccati Equation". 30 H. Bart, I. Gohberg, M. 31 P. T. Elder: Calculation of eigenfunctions in the context of integration to blowup. SIAM J. Numer. Anal. 32 K. Martensson: On the matrix Riccati equation. Inf. Sci. 33 L. R. S. Watkins: Determining initial conditions for stiff systems of ordinary differential equations. SIAM J. Numer.
Chern. Kinet. 5 M. Uhlen: "KINRATE and KINBOX, Two Program Packages for Interactive Simulation of Chemical Systems"; Techn. Rep. TRITA-NA-7912, Roy. Inst. , Stockholm, Dept. C. Hindmarsh: "GEAR: Ordinary Differential Equation System Solver"; Rep. UCID-30001, Rev. 3, Lawrence Livermore Lab. R. Curtis: "The FACSIMILE Numerical Integrator for Stiff Initial Value Problems"; Techn. Rep. B. W. Boyd: A program package using stiff sparse integration methods for the automatic solution of mass action kinetics equations.