FEATURE SENSITIVITy ANALYSIS IN CHEMICAL KINETICS

来源 :分子科学与化学研究 | 被引量 : 0次 | 上传用户:liugang
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THIS paper presents a formulation for analyzing physical fea-tures present in observable concentration profiles.The anal-ysis is confined to time dependent kinetic systems.With thekinetic mechanism described by a vector of input parameters αit is argued that the resultant chemical species concentra-tions are most adequately described in terms of their own na-tural vector of output observable parameters β.Featuresensitivity analysis aims to bridge this natural dichotomy andestablish the relation between the input and output physicalparameters by means of calculating the feature sensitivitycoefficients .These feature sensitivity coefficientsare obtained by a procedure drawing on the computationallyavailable elementary sensitivity coefficients of the con-centration vector c and a numerical fitting of the concentra-tion profiles themselves to a physically acceptable form con-taining the feature parameters.The resultant analysis leadsto a set of linear equations for the feature sensitivity coef-ficients.The technique is illustrated for a kinetic systemexhibiting oscillatory behavior.Various mathematical ques-tions and other approaches to the subject are also mentioned. THIS paper presents a formulation for analyzing physical fea-tures present in observable concentration profiles. The anal-ysis is confined to time dependent kinetic systems. Since thekinetic mechanism described by a vector of input parameters αit is argued that the resultant chemical species concentra-tions are most adequately described in terms of their own na-tural vector of output observable parameters β.Featuresensitivity analysis aims to bridge this natural dichotomy andestablish the relation between the input and output physicalparameters by means of calculating the feature sensitivitycoefficients. a procedure drawing on the computationally available elementary sensitivity coefficients of the con-centration vector c and a numerical fitting of the concentra tion profiles themselves to a physically acceptable form con-taining the feature parameters. The resultant analysis lead to a set of linear equations for the feature sensitivi ty coef-ficients. The technique is illustrated for a kinetic systemexhibiting oscillatory behavior. Various mathematical ques tions and other approaches to the subject are also mentioned.
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