Shape description criteria

The ICLS model contains pure spectra of caustic, salt, water, and temperature. The conclusion of the model validation is that the ICLS model adequately describes the water peak shape changes due to caustic, salt, and temperature. Furthermore, it meets the required performance criterion for the prediction of caustic. The measures of performance are as follows (see Table 5.1 for a description of these figures of merit) ... 

Typically, resolution diagrams in MLC are complex, with several local maxima, frequently denoting interaction between factors. For this reason, reliable optimal conditions require considering all factors simultaneously, by applying an interpretive optimization strategy (i.e., based on the description of the retention behavior and peak shape of solutes). In this task, the product of free peak areas or purities has proved to be the best optimization criterion. An interactive computer program is available to obtain the best separation conditions in... 

Laycock and coworkers developed simulations of pit growth on stainless steel at constant applied potential. The present discussion focuses on their second paper, in which the model was substantially improved by the extension of the simulation domain to include the solution outside the pit cavity. The pit growth model incorporated a hypothesis of the critical condition for passivation within the pit, and the resulting development of the pit shape was evaluated. The metal surface was assumed to be passivated at metal ion concentrations lower than a critical value the dissolution rate increased with metal ion concentration above the critical value. These concentration-dependent dissolution kinetics were closely related to results of experimental studies of artificial pits, and the criterion for passivation was supported by measurements of actual pit growth. It should be mentioned that description of mass transport in the model did not conform to the dilute solution theory as outlined above, since a current continuity equation was used which included contributions from migration but not diffusion hence, the potential gradient in the pit was probably overestimated. However, inaccuracies in the prediction of potential were likely compensated by adjustment of empirical dissolution kinetic parameters in the model. 

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