Sensitivity analysis of boundary value problems: Application to nonlinear reacti

Abstract A direct and very efficient approach for obtaining sensitivities of two-point boundary value problems solved by Newton's method is studied. The link between the solution method and the sensitivity equations is investigated together with matters of numerical accuracy and efficiency. This approach is employed in the analysis of a model three species, unimolecular, steady-state, premixed laminar flame. The numerical accuracy of the sensitivities is verified and their values are utilized for interpretation of the model results. It is found that parameters associated directly with the temperature play a dominant role. The system's Green's functions relating dependent variables are also controlled strongly by the temperature. In addition, flame speed sensitivities are calculated and shown to be a special class of derived sensitivity coefficients. Finally, some suggestions for the physical interpretation of sensitivities in model analysis are given.

[1]  S. Margolis Theoretical analysis of steady, nonadiabatic premixed laminar flames , 1980 .

[2]  M. Eslami,et al.  Introduction to System Sensitivity Theory , 1980, IEEE Transactions on Systems, Man, and Cybernetics.

[3]  W. V. Loscutoff,et al.  General sensitivity theory , 1972 .

[4]  Richard A. Yetter,et al.  Elementary and derived sensitivity information in chemical kinetics , 1984 .

[5]  Asymptotic analysis of stationary propagation of the front of a two-stage exothermic reaction in a gas: PMM vol. 37, n≗6, 1973, pp. 1049–1058 , 1973 .

[6]  Herschel Rabitz,et al.  The Green’s function method of sensitivity analysis in chemical kinetics , 1978 .

[7]  Mitchell D. Smooke,et al.  Solution of burner-stabilized premixed laminar flames by boundary value methods , 1982 .

[8]  M. Kramer,et al.  Sensitivity Analysis in Chemical Kinetics , 1983 .

[9]  Herschel Rabitz,et al.  Chemical sensitivity analysis theory with applications to molecular dynamics and kinetics , 1981, Comput. Chem..

[10]  M. Smooke,et al.  Error estimate for the modified Newton method with applications to the solution of nonlinear, two-point boundary-value problems , 1983 .

[11]  Joseph M. Calo,et al.  An improved computational method for sensitivity analysis: Green's function method with ‘AIM’ , 1981 .

[12]  Eugene P. Dougherty,et al.  Further developments and applications of the Green’s function method of sensitivity analysis in chemical kinetics , 1979 .

[13]  P. Clavin,et al.  Asymptotic analysis of a premixed laminar flame governed by a two-step reaction , 1975 .

[14]  A. M. Dunker,et al.  Efficient calculation of sensitivity coefficients for complex atmospheric models , 1981 .

[15]  L. Kantorovich,et al.  Functional analysis in normed spaces , 1952 .

[16]  H. A. Watts,et al.  Computational Solution of Linear Two-Point Boundary Value Problems via Orthonormalization , 1977 .

[17]  Robert D. Russell,et al.  COLSYS - - A Collocation Code for Boundary - Value Problems , 1978, Codes for Boundary-Value Problems in Ordinary Differential Equations.

[18]  Metin Demiralp,et al.  Chemical kinetic functional sensitivity analysis: Derived sensitivities and general applications , 1981 .

[19]  L. E. Scriven,et al.  Study of coating flow by the finite element method , 1981 .

[20]  James A. Miller,et al.  Determination of Adiabatic Flame Speeds by Boundary Value Methods , 1983 .

[21]  Metin Demiralp,et al.  Chemical kinetic functional sensitivity analysis: Elementary sensitivities , 1981 .

[22]  A. Kapila,et al.  Two-step sequential reactions for large activation energies , 1977 .

[23]  Víctor Pereyra,et al.  PASVA3: An Adaptive Finite Difference Fortran Program for First Order Nonlinear, Ordinary Boundary Problems , 1978, Codes for Boundary-Value Problems in Ordinary Differential Equations.

[24]  J. A. White,et al.  On Selection of Equidistributing Meshes for Two-Point Boundary-Value Problems , 1979 .

[25]  Victor Pereyra,et al.  Mesh selection for discrete solution of boundary problems in ordinary differential equations , 1974 .