what do chemical information specialists, computer scientists, and chemists have in common?
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petitive, linear-mixed system, and hyperbolic-mixed system mechanisms quickly leads to the selection of the hyperbolic-mixed system as the most likely mechanism of the five considered (Figure 12b). The residual surface deviations for the latter are equally distributed above and below the plane. A relative novice could interpret the data. Unlike the more traditional techniques, all data were used in obtaining each set of parameter estimates. To analyze the same data set by the traditional technique would have required the development and examination of hundreds of linear plots by a skilled kineticist.
Often it is desirable to obtain visual representations of the effects of four variables. This can be accomplished on a color terminal using transparencies. On a monochromic terminal one variable, e.g., the dependent variable, can be placed on the time axis, with the result that one sees a dynamic display where each frame shows the relationship of three independent variables at a fixed level of the dependent variable. For the kinetics research described above, such a four-dimensional representation was developed with a dynamic display of a reaction-rate surface as a function of three independent variables. Figure 13 shows three sequential frames from such a presentation, interactively displayed to the user in real time.
5 . 0 0
0 . 6 7
RATE
5 . 0 0
0 . 5 0 6 . 0 0
Figure 12. (a) Poor residual surface (uncompetitive kinetic model); (b) good residual surface (hyperbolic-mixed model)
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318 A · ANALYTICAL CHEMISTRY, VOL. 56, NO. 2, FEBRUARY 1984