Factors affecting on-line estimation of diastereomer composition using Raman spectroscopy

This paper addresses the estimation of fractional solid composition of two diastereomers during crystallization. The estimation is obtained through a Partial Least Square (PLS) model that utilizes on-line Raman spectroscopy and additional process information such as temperature and slurry density. Several PLS models are developed that incorporate conditions that either neglect or account for variability in the additional process variables. It is shown that the model that incorporates both temperature and slurry density is the most accurate.