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Calculation of rate constants and quantitative description of nonfully defined reaction systems

L. Koudelka

Res. Inst. Petrochem., Prievidza


Abstract: A procedure for detg. the extent of information necessary to calc. the optimum values of rate consts. for nonfully defined reaction systems is described. It is based on the theory of vector spaces applied to mechanisms of chem. reactions and involves construction and anal. of reaction matrix, detn. of the dimension of stoichiometric space as well as establishment of a convenient base system of vectors. The proposed procedure of calcn. is illustrated by examples for the aldol condensation of two aldehydes and for the reaction of CH2:CHCHO with C(CH2OH)4.

Full paper in Portable Document Format: 385a649.pdf


Chemical Papers 38 (5) 649–661 (1984)

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