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@article{Nisar:2025:10.1016/j.biombioe.2025.108056,
author = {Nisar, S and Barbará, PV and Chachuat, B and Hallett, JP and Brandt-Talbot, A},
doi = {10.1016/j.biombioe.2025.108056},
journal = {Biomass and Bioenergy},
title = {Near-infrared spectroscopy for rapid compositional analysis of cellulose pulps after fractionation with ionic liquids},
url = {http://dx.doi.org/10.1016/j.biombioe.2025.108056},
volume = {201},
year = {2025}
}
TY - JOUR
AB - The composition of cellulose-enriched solids is typically monitored using a laborious and expensive wet-lab analytical method. Here, the development and application of an alternative tool that uses NIR spectroscopy and a software sensor is reported, drawing on a large data set (149 training samples) consisting of untreated grass, hardwood, and softwood biomass and cellulose pulps obtained after fractionation with the low-cost ionic liquids triethylammonium hydrogen sulfate ([TEA][HSO4]) or N,N-dimethylbutylammonium hydrogen sulfate ([DMBA][HSO4]) mixed with water. A partial least squares (PLS) model was trained on compositions determined with the traditional wet-lab procedure, followed by the application of an uncertainty quantification framework to estimate confidence in the predictions. Good agreement with the wet-lab experimental data (mean absolute errors on unseen samples below 5%) was found for ionic liquid fractionated cellulose and purified cellulose samples generated with non-ionoSolv approaches. Cellulose with low crystallinity and isolated lignins generated poor fits, suggesting that more specialised models are needed. The sugar-derived pseudo-lignin (humin) content in the cellulose pulp was estimated by comparing the model with a second PLS model that excluded charred (over-treated) pulps. The study shows that NIR soft-sensors can cost- and time-effectively estimate the composition of ionoSolv-based pulps, speeding up process and product development and facilitating process operation.
AU - Nisar,S
AU - Barbará,PV
AU - Chachuat,B
AU - Hallett,JP
AU - Brandt-Talbot,A
DO - 10.1016/j.biombioe.2025.108056
PY - 2025///
SN - 0961-9534
TI - Near-infrared spectroscopy for rapid compositional analysis of cellulose pulps after fractionation with ionic liquids
T2 - Biomass and Bioenergy
UR - http://dx.doi.org/10.1016/j.biombioe.2025.108056
UR - https://doi.org/10.1016/j.biombioe.2025.108056
VL - 201
ER -