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

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 temper...

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Autores principales:	Sung-Wook Hwang, Un Taek Hwang, Kyeyoung Jo, Taekyeong Lee, Jinseok Park, Jong-Chan Kim, Hyo Won Kwak, In-Gyu Choi, Hwanmyeong Yeo
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/563fe2056ea7400dbf6b70c02de0ec04
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spelling	oai:doaj.org-article:563fe2056ea7400dbf6b70c02de0ec042021-12-02T18:51:42ZNIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin10.1038/s41598-021-96461-x2045-2322https://doaj.org/article/563fe2056ea7400dbf6b70c02de0ec042021-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-96461-xhttps://doaj.org/toc/2045-2322Abstract 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.Sung-Wook HwangUn Taek HwangKyeyoung JoTaekyeong LeeJinseok ParkJong-Chan KimHyo Won KwakIn-Gyu ChoiHwanmyeong YeoNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Sung-Wook Hwang Un Taek Hwang Kyeyoung Jo Taekyeong Lee Jinseok Park Jong-Chan Kim Hyo Won Kwak In-Gyu Choi Hwanmyeong Yeo NIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin
description	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.
format	article
author	Sung-Wook Hwang Un Taek Hwang Kyeyoung Jo Taekyeong Lee Jinseok Park Jong-Chan Kim Hyo Won Kwak In-Gyu Choi Hwanmyeong Yeo
author_facet	Sung-Wook Hwang Un Taek Hwang Kyeyoung Jo Taekyeong Lee Jinseok Park Jong-Chan Kim Hyo Won Kwak In-Gyu Choi Hwanmyeong Yeo
author_sort	Sung-Wook Hwang
title	NIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin
title_short	NIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin
title_full	NIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin
title_fullStr	NIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin
title_full_unstemmed	NIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin
title_sort	nir-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/563fe2056ea7400dbf6b70c02de0ec04
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NIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin

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