Reduction of kinetic models using dynamic sensitivities

Analysis of Kinetic Reaction Mechanisms

“…Recently, Perumal et al used the Green function matrix (GFM) (Perumal et al 2009) and a measure that can be derived from the elements of the Green function matrix (Perumal and Gunawan 2011;Perumal et al 2013) for the analysis and reduction of reaction mechanisms. The latter approach is called impulse parametric sensitivity analysis (iPSA) and it shows the effect of modifying the value of a parameter, for a short time only, on the model result.…”

“…This is similar to a method termed functional sensitivity analysis by Rabitz et al (1983). Perumal et al (2013) used several GFM-and iPSA-based approaches for the reduction of gas kinetic models and found that these have a similar efficiency compared to other methods like directed relation graph (DRG), DRG with error propagation (DRGEP), principal component analysis (PCA) and quasi-steady-state analysis (QSSA). Perumal et al (2013) used several GFM-and iPSA-based approaches for the reduction of gas kinetic models and found that these have a similar efficiency compared to other methods like directed relation graph (DRG), DRG with error propagation (DRGEP), principal component analysis (PCA) and quasi-steady-state analysis (QSSA).…”

Elucidating Cellular Population Dynamics by Molecular Density Function Perturbations

“…Despite their differences, the aforementioned sensitivity analyses and the corresponding sensitivity coefficients are based on static or persistent parameter perturbations. As we have demonstrated previously, such analysis is incapable of elucidating any dynamic transitions of the bottlenecking process [28][29][30].…”

“…In several publications [28][29][30], we have shown that the traditional PSA derived using static perturbations to system parameters may lead to incorrect conclusions when the rate-limiting process changes with time. For this reason, we have created a new class of sensitivity analysis based on impulse perturbations on parameters and states, called impulse parameter sensitivity analysis (iPSA) and Green's function matrix (GFM) analysis, respectively [28][29][30]. By introducing impulse perturbations at different times, the new sensitivity analyses are able to reveal not only which processes are rate limiting but also when they become rate limiting.…”

Dealing with uncertainties: Sensitivity analysis of vacuum gas oil hydrotreatment

“…They are very few applications of these techniques in the open literature [6][7][8][9]. This article is decomposed as follows:…”