ABSTRACT
From the general discussion given in Chapter 1, it can be seen that although
isothermal calorimetry (IC) offers huge potential to the pharmaceutical sciences,
its use has so far been relatively limited by the lack of methods for analyzing quan-
titatively the data obtained. However, developments over the past 15 years have
begun to redress this balance, and there are now a number of approaches that can
be used to analyze calorimetric data. This chapter provides a theoretical overview
of these developments and underpins many of the practical examples given in the
latter part of the book. For the benefit of tuition, all of the techniques shown are
illustrated using simulated data. Simulated data (which, as suggested by the name,
are created using a mathematical worksheet) are ideal; in other words, they are
free from the noise, random errors, and other artifacts inherent in real data.
They are useful for testing the validity of a model (or the analyst’s use of a
model) because the correct reaction parameters, and reaction mechanism, are
known in advance. A further discussion of the use and construction of simulated
data is given in the following sections. The remainder of this chapter is subdivided
according to the type of analysis methodology, which are defined as follows:
