USE OF DATABASES IN THE KINETIC-ANALYSIS OF 2, COMPETITIVE, CONSECUTIVE 2ND-ORDER REACTIONS

In order to obtain the rate constants, k(1) and k(2), for two competit ive, consecutive (series) second-order reactions (CCSR), previous work ers have utilized approximate and graphical procedures. However, Frost and Schwemer (FS) were able to derive exact complex expressions, usin g a particular initial condition (to be described subsequently), which allowed tables of values pertinent to CCSR to be constructed. From su ch tables, values of k(1) and k(2) could be ascertained by the use of interpolation. The aim of the present paper is to simplify the attainm ent of accurate values of k(1) and k(2) for CCSR by the utilization of cubic and quartic polynomial correlations based on the tables of FS. In this manner, and employing a database script (Paradox ver. 3.5), th e preceding k-values could be obtained rapidly without the use of spec ial tables and interpolations therefrom, and which agreed well with co rresponding reported values. (C) 1997 Elsevier Science B.V.