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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 30 (1998), S. 349-358 
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Models that simulate atmospheric photochemistry require the use of a stiff ordinary differential equations (ODEs) solver. Since the simulation of the chemical transformations taking place in the system takes up to 80 percent of the CPU time, the numerical solver must be computationally fast. Also, the residual error from the solver must be small. Because most accurate solvers are relatively slow, modelers continue to search for timely, yet accurate integration methods. Over the past years an extensive number of articles have been dedicated to this subject. One of the highly debated questions is whether one should construct specialized algorithms or instead use general methods for stiff ODEs. In the present article we use the second alternative. We apply three linearly (semi-)implicit methods from the classical stiff ODE literature which we modified to implement the sparse routines to solve the system of equations describing a complex kinetic mechanism. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 349-358, 1998
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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