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In‐line monitoring of hydrogen peroxide in two‐phase reactions using raman spectroscopy
Author(s) -
Ebrahimi Fatemeh,
Viell Jörn,
Mitsos Alexander,
Mhamdi Adel,
Brandhorst Markus
Publication year - 2017
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.15754
Subject(s) - hydrogen peroxide , raman spectroscopy , calibration , titration , chemistry , peroxide , spectroscopy , analytical chemistry (journal) , partial least squares regression , inorganic chemistry , chromatography , organic chemistry , optics , computer science , physics , quantum mechanics , machine learning
Hydrogen peroxide is an environment‐friendly oxidizer, which is used in several chemical processes. However, safety necessitates the determination and control of the concentration of hydrogen peroxide during oxidation reactions. We propose a methodology to monitor hydrogen peroxide in disperse two‐phase reaction mixtures based on in‐line Raman spectroscopy. We compare indirect hard modeling (IHM), peak integration (PI), and partial least squares (PLS). Building predictive PLS and PI calibration models is challenging, whereas the IHM calibration is easy to develop. These methods show good accuracy for known samples (root mean square error of cross validation [RMSECV] of 0.3–0.7 wt %) compared to the classic titration method (RMSECV of 0.4 wt %). After calibration, inline monitoring during reaction is performed demonstrating that the concentration of hydrogen peroxide can be successfully monitored in a fast and reliable way by Raman spectroscopy. The IHM seems to give slightly better inline predictions. © 2017 American Institute of Chemical Engineers AIChE J , 63: 3994–4002, 2017