Using chemometrics tools to gain detailed molecular information on chemical processes

Paul Gemperline has been active in many areas of data analysis in chemistry. In this contribution, we build on his developments in advanced process analysis. The most prominent aspect is data fusion, the combined analysis of measurements taken on different instruments, using different measurement techniques, and different chemical conditions. We have successfully applied these principles to the investigation of the chemistry of CO2 in aqueous amine solutions. There are two fields of chemometrics analyses, those which attempt at analysing the data without prior knowledge and those which based the analysis on as much chemical knowledge as possible. Paul Gemperline has been active in both. In this contribution, we concentrate on the chemistry‐based analysis ideas that have been developed by Paul: hard modelling and the globalisation of the analysis of several data sets. This contribution applies both above ideas for the investigation of the aqueous chemistry of CO2.