Local Sensitivity Analysis

In this book we mainly discuss deterministic kinetic models based on differential equations. The stochastic simulation of chemical kinetic models was only mentioned briefly in Sect. 2.1.3. We note that it is also possible to investigate stochastic models by sensitivity analysis and we refer the readers to the articles of Gunawan et al. (2005), Degasperi and Gilmore (2008), Charzyhska et al. (2012) and Pantazis et al. (2013). 

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Local sensitivity analysis and Morris One-At-A-Time analysis were performed on the simple model, and showed... 

Fig. 10. Local Sensitivity Analysis of HO2 between 06 00 and Fig. 11. Morris One-At-a-Time Analysis of OH for 7 February. 18 00 (7 February). Only the most significant parameters are indicated (std is standard...

Local sensitivity analysis is of limited value when the chemical system is non-linear. In this case global methods, which vary the parameters over the range of their possible values, are preferable. Two global uncertainty methods have been used in this work, a screening method, the so-called Morris One-At-A-Time (MOAT) analysis and a Monte Carlo analysis with Latin Hypercube Sampling (Saltelli et al., 2000 Zador et al., submitted, 20041). The analyses were performed by varying rate parameters, branching ratios and constrained concentrations within their uncertainty interval,... 

The rate of production analysis was complemented by a local sensitivity analysis and by a global Morris screening analysis. These analyses demonstrate the necessity of accurate measurements of j(0 D) and [HCHO] and reduced uncertainty in the quantum yields for H from HCHO photolysis. 

The sensitivity analysis of a system of chemical reactions consist of the problem of determining the effect of uncertainties in parameters and initial conditions on the solution of a set of ordinary differential equations [22, 23], Sensitivity analysis procedures may be classified as deterministic or stochastic in nature. The interpretation of system sensitivities in terms of first-order elementary sensitivity coefficients is called a local sensitivity analysis and typifies the deterministic approach to sensitivity analysis. Here, the first-order elementary sensitivity coefficient is defined as the gradient... 

For a local sensitivity analysis, Eq. (2.69) may be differentiated with respect to the parameters a to yield a set of linear coupled equations in terms of the elementary sensitivity coefficients, cXM /daj. 

Sensitivity analysis investigates the output of models as a function of parameters. In local sensitivity analysis, this relation is given as the partial derivative of the output of the model with respect to the parameters. These partial derivatives can be simply introduced via a Taylor series expansion ... 

Bosnic Z, Kononenko I. Estimation of individual prediction reliability using the local sensitivity analysis. Appl Intell 2008 29 187-203. 

The (local) sensitivity analysis can be applied in several areas. 

G.P. Smith, D. Nash, Local sensitivity analysis for observed hydrocarbons in a Jupiter photochemistry model. Icams 182(1), 181-201 (2(K)6)... 

The most frequently applied method is local sensitivity analysis (Turanyi 1997 Turanyi and Rabitz 2000) where the response of the model output to a smah... 

Zsely et al. (2003) performed numerical experiments to investigate this consequence of global similarity. Initially the concentration profiles were calculated for simulations of the adiabatic explosion of a stoichiometric hydrogen-air mixture using a nominal parameter set based on the values recommended by Baulch et al. (2005). Local sensitivity analysis was then used to select those parameters with the largest influence oti the simulated species concentrations based on a study of A-factors for the reaction rate coefficients. Five reactions were selected as dominating the influence on the calculated concentrations. At the next stage, the... 

The code FlameMaster (FlameMaster) is another alternative to the CHEMKIN simulation codes. It is a free computer program for OD combustion and ID laminar flame calculations with local sensitivity analysis. FlameMaster can carry out homogeneous reactor and perfectly stirred reactor calculations, and is able to simulate freely propagating premixed flames and steady counterflow diffusion flames with potential flow or plug flow boundary conditions. 

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