Analysis of Kinetic Models of Chemical Reaction Systems: by L. A. Tavadyan, G. A. Martoyan

By L. A. Tavadyan, G. A. Martoyan

English model of: Analiz kineticheskikh modelei khimicheskikh reak'tsionnykh sistem.

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A. 12) or in an integral form m F   ψi fi  const. 13) i 1 Let us denote the Hamiltonian function by m H   F   i fi . 14) gives H=const, consequently  H  c i H  i  dH    0. 15) we obtain  H dψi  dci dH     0. 17) shall be satisfied for arbitrary concentrations ci. 18) that H represents well-known Hamiltonian function in the calculus of variations. 16). 7), respectively. 8). For the sake of convenience in calculating ψi (t0 ) the output parameter F is represented as the linear combination of the rate-of-production of reaction species fi according to the selected target.

Catal. , 199 (2003), 175. Kinetic Significance of Steps in Complex Chemical Transformation 27 [21] Marin, GB; Yablonsky, GS. Kinetics of complex reactions. Decoding complexity. Wiley-VCH, 2011. [22] Tomovic, R. Sensitivity analysis of dynamic systems, McGraw-Hill, New York, 1963. [23] Frank, RM. Introduction to system sensitivity theory, New York, Acad. Press, 1978. [24] Allara, DL; Edelson, D; Irwin, KV. Int. J. Chem. , 4 (1972) 345. [25] Campalongo, F; Saltelli, A. In: Sensitivity analysis, A.

9) t0 But if the contribution of individual steps in the kinetics of the concentration variation of several reaction species is to be identified, then the target functional takes on the form t I (t )    f i  t  dt . 11) t0 where f E  t  is the rate of the concentrations change of the initial reaction species. 4) transforms to 34 L. A. Tavadyan and G. A. 12) or in an integral form m F   ψi fi  const. 13) i 1 Let us denote the Hamiltonian function by m H   F   i fi . 14) gives H=const, consequently  H  c i H  i  dH    0.

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