The role of process analytical chemistry is summarised in chapter one with
particular emphasis on a multidisciplinary approach and the instrumental
requirements for on-plant analysis. These concepts are extended to process FIA,
highlighting its potential for simultaneous multicomponent determinations.
The development of an automated FIA monitor for the on-line determination of
sulphite in potassium chloride brine is covered in the second chapter. Reaction
stability is demonstrated and the results of on-plant validation and on-line trials
are presented.
The next chapter deals with the concepts of multivariate calibration. Direct
multicomponent analysis, principal components regression and partial least
squares regression are critically examined in practical spectroscopic terms and
statistical terms. The relative predictive abilities of these techniques are
compared in chapter four for the resolution of a multicomponent UV-visible
spectrophotometric data set.
Chapter five describes the development of an automated FIA-diode array system
for the simultaneous determination of phosphate and chlorine. The implications
of combining reaction chemistries and the influence of a number of calibration
parameters are considered in detail.
Finally, the jackknife is presented as a means of dimensionality estimation' and
bias correction in PLS modelling. Data sets from the literature are analysed and
the results compared with those obtaining using commercial software.ICI Chemicals & Polymer
