A program system for computer integration of multistep reaction rate equations using the gear integration method
Robert, N. Stabler; John, P. Chesick
International Journal of Chemical Kinetics 10(5): 461-469
1978
ISSN/ISBN: 0538-8066 DOI: 10.1002/kin.550100505Document Number: 497555
A program system is described for the integration of the rate equations resulting from large systems of elementary reactions The Gear integration method is used for this problem, which frequently may exhibit stiffness instability when other integration methds are employed No usage of the quasi-steady-state approximation is necessary Ease in varying the reaction mechanism and simplicity of input structure are coupled with efficient execution and minimal demands for program storage as key features The input–output structure, method of operation, and implementation are summarized, along with core storage requirements and execution times for trials using an Ibm 360/44 computer.