Prediction of Maximum Yield in the Crystallization of Multicomponent Isomeric Systems

We have developed a computer program (CRYSS), which may
be used to rank the performance of a series of crystallization
experiments. The method, at its simplest, allows the chemist to
take composition data from partially purified crystallized solids
and mother liquors; when this is coupled with initial composition data, the program can predict the maximum yield the
system is capable of delivering after optimization. In this paper
the underlying theoretical basis of the method is investigated
by means of the crystallization of a three-component blend of
hydrobenzoin isomers, along with the investigation of a four-component system based on aminoindanol. In the latter case,
the modulation of purification performance via salt formation
is demonstrated.