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Mathematical properties useful for numerical treatment of chemical kinetics

Lennart Edsberg

KTH, Nada, 100 44 Stockholm, Sweden
edsberg@nada.kth.se
Poster


In computational chemical engineering the models often give large systems of ODE's or DAE's, containing a.o. terms from the kinetic part of the model. When using implicit methods it comes down to solving large nonlinear algebraic systems of equations. If their structure is utilized a combination of direct and iterative methods can be made more efficient for their solution than standard sparse methods.




Ernst Hairer
2002-05-23