Title: SETKIN: A Chemical Kenetics Preprocessor Code
Abstract: This chapter describes the internal structure of a chemical kinetics preprocessor code called SETKIN. The code is designed to translate a user-specified system of chemical rate equations into a system of chemical kinetic differential equations. SETKIN produces an output file called CRACK1, which is used as input to one of a collection of programs designed to solve the chemical kinetics ordinary differential equation systems. The chapter presents description of important subroutines, which are a part of the GENKIN-I system. It describes key subroutines in SETKIN. It also discusses the differential equation function subroutine and also the associated subroutine that allows the calculation of the Jacobian of the ODE system. The subroutine BUSTER converts a user-specified set of reaction processes into a corresponding set of chemical kinetic differential equations. BUSTER uses a card library, which is very similar to QKCOEFF called CARLIB (card library). To reach the differential equations produced by BUSTER, certain rules are established in connection with the CARLIB library.
Publication Year: 1976
Publication Date: 1976-01-01
Language: en
Type: book-chapter
Indexed In: ['crossref']
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Cited By Count: 2
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