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Using chemometrics tools to gain detailed molecular information on chemical processes
Author(s) -
Puxty Graeme,
Maeder Marcel
Publication year - 2020
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/cem.3207
Subject(s) - chemometrics , cheminformatics , chemistry , computer science , aqueous solution , biochemical engineering , analytical chemistry (journal) , biological system , environmental chemistry , computational chemistry , chromatography , organic chemistry , engineering , biology
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 CO 2 in aqueous amine solutions.