NIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin

• Main Authors: Sung-Wook Hwang, Un Taek Hwang, Kyeyoung Jo, Taekyeong Lee, Jinseok Park, Jong-Chan Kim, Hyo Won Kwak, In-Gyu Choi, Hwanmyeong Yeo
• Format: Article
• Language: English
• Published: Nature Publishing Group 2021-08-01
• Series: Scientific Reports
• Online Access: https://doi.org/10.1038/s41598-021-96461-x

Abstract The aim of this study is to establish prediction models for the non-destructive evaluation of the carbonization characteristics of lignin-derived hydrochars as a carbon material in real time. Hydrochars are produced via the hydrothermal carbonization of kraft lignins for 1–5 h in the temperature range of 175–250 °C, and as the reaction severity of hydrothermal carbonization increases, the hydrochar is converted to a more carbon-intensive structure. Principal component analysis using near-infrared spectra suggests that the spectral regions at 2132 and 2267 nm assigned to lignins and 1449 nm assigned to phenolic groups of lignins are informative bands that indicate the carbonization degree. Partial least squares regression models trained with near-infrared spectra accurately predicts the carbon content, oxygen/carbon, and hydrogen/carbon ratios with high coefficients of determination and low root mean square errors. The established models demonstrate better prediction than ordinary least squares regression models.