title: Hydrothermal carbonization (HTC): near infrared spectroscopy and partial least-squares regression for determination of selective components in HTC solid and liquid products derived from maize silage.
abstract: Near-infrared (NIR) spectroscopy was evaluated as a rapid method of predicting fiber components (hemicellulose, cellulose, lignin, and ash) and selective compounds of hydrochar and corresponding process liquor produced by hydrothermal carbonization (HTC) of maize silage. Several HTC reaction times and temperatures were applied and NIR spectra of both HTC solids and liquids were obtained and correlated with concentration determined from van-Soest fiber analysis, IC, and UHPLC. Partial least-squares regression was applied to calculate models for the prediction of selective substances. The model developed with the spectra had the best performance in 3-7 factors with a correlation coefficient, which varied between 0.9275-0.9880 and 0.9364-0.9957 for compounds in solid and liquid, respectively. Calculated root mean square errors of prediction (RMSEP) were 0.42-5.06mg/kg. The preliminary results indicate that NIR, a widely applied technique, might be applied to determine chemical compounds in HTC solid and liquid.
authors.affiliation: APECS Group, Leibniz Institute for Agricultural Engineering (ATB), Max-Eyth-Allee 100, Potsdam 14469, Germany. Electronic address: treza@atb-potsdam.de.
authors.forename: M Toufiq
authors.initials: MT
authors.lastname: Reza
authors.affiliation: Energetische Systeme, Fraunhofer Institut für Chemische Technologie (Fh-ICT), Joseph-von-Fraunhoferstr. 7, Pfinztal 76327, Germany.
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Becker
authors.affiliation: Energetische Systeme, Fraunhofer Institut für Chemische Technologie (Fh-ICT), Joseph-von-Fraunhoferstr. 7, Pfinztal 76327, Germany.
authors.forename: Kerstin
authors.initials: K
authors.lastname: Sachsenheimer
authors.affiliation: APECS Group, Leibniz Institute for Agricultural Engineering (ATB), Max-Eyth-Allee 100, Potsdam 14469, Germany.
authors.forename: Jan
authors.initials: J
authors.lastname: Mumme
mesh_terms: D056804:Biofuels; D016018:Least-Squares Analysis; D025341:Principal Component Analysis; D019265:Spectroscopy, Near-Infrared; D003313:Zea mays / Q000737:chemistry*
chemical_list: D056804:Biofuels
keywords: HTC biochar; Hydrothermal carbonization; NIR spectroscopy; Partial least-squares regression; Principle component analysis