Affiliations: Research Center for Eco-Environmental Sciences,
Chinese Academy of Sciences, Beijing 100085, China
Abstract: A package( a tool model) for program of predicting atmospheric
chemical kinetics with sensitivity analysis is presented. The new direct method
of calculating the first order sensitivity coefficients using sparse matrix
technology to chemical kinetics is included in the tool model, it is only
necessary to triangularize the matrix related to the Jacobian matrix of the
model equation. The Gear type procedure is used to integrate amodel equation
and its coupled auxiliary sensitivity coefficient equations. The FORTRAN
subroutines of the model equation, the sensitivity coefficient equations, and
their Jacobian analytical expressions are generated automatically from a
chemical mechanism. The kinetic representation for the model equation and its
sensitivity coefficient equations, and their Jacobian matrix is presented.
Various FORTRAN subroutines in packages, such as SLODE, modified MA28, Gear
package, with which the program runs in conjunction are recommended.The
photo-oxidation of dimethyl disulfide is used for illustration.
Keywords: atmospheric chemical model, chemical kinetics, sensitivity analysis