Stochastic sensitivity analysis in chemical kinetics

Abstract

The stochastic sensitivity analysis problem in chemical kinetics is defined as determining the probability density function (pdf) of the concentrations given probability density functions for the parameters and initial conditions. The joint concentration parameter pdf is found to satisfy the equation ([partial-derivative]p/[partial-derivative]t)+div(Fp) = 0, where the system dynamics are given by ? = F(x). The properties of the solution of this equation are studied, and the approach is applied to analyze the sensitivity of the kinetics of the photolysis of a mixture of carbon monoxide, nitrogen dioxide, nitric oxide, and water in air to uncertainties in the initial concentrations of the nitrogen oxides and in the values of two photolysis rate constants. Comparisons to other sensitivity analysis approaches are discussed.