Authors: Bijendra Shrestha | Jetsada Posom | Panmanas Sirisomboon | Bim Prasad Shrestha | Axel Funke
Source: Preprints.org (preprint, 2023-12-22)
Field: Chemistry — Analytical Chemistry

NIR Spectroscopy as an Alternative to Thermogravimetric Analyzer for Biomass Proximate Analysis: Comparison of Chip and Ground Biomass Models A non-destructive analysis of proximate parameters (moisture content, MC; volatile matter, VM; fixed carbon, FC; and ash content) for a variety of chipped and ground biomasses was investigated through a combination of thermogravimetric analysis (TGA) and near-infrared spectroscopy (NIRS) with partial least squares regression (PLSR). In this study, the thermogravimetric method was employed as a tool to determine the proximate analysis data of biomass samples through TG and DTG curves, which were generated by tracking changes in biomass mass loss over time or temperature. NIRS non−destructively scanned the chipped biomass in diffuse reflectance while ground biomass using transflectance mode, covering the wavenumber range of 3594.87 to 12,489.48 cm−1. The PLSR−based models: Full−PLSR, genetic algorithm (GA)−PLSR, successive projection algorithm (SPA)−PLSR, the spectral multi−preprocessing (MP) PLSR− 5 range method, and the MP PLSR−3 range method were developed. Model performance was assessed, compared, and selected based on the coefficient of determination in the prediction set (R2P), root mean square error in the validation set (RMSEP), and the ratio of prediction to deviation (RPD). Based on the comprehensive analysis of model performance, MC and FC models of chip biomass have demonstrated satisfactory performance which makes it applicable cautiously in any application, including research. The optimum models for MC and FC in chip biomass were constructed using GA−PLSR with 2nd derivative and Full−PLSR with a constant offset, resulting in R2P values of 0.8654 and 0.8773, RMSEP values of 0.85% and 2.12%, and RPD values of 2.9 and 3.0, respectively. Other parameters such as MC and FC in ground biomass as well as VM and ash content in both chip and ground biomass were found suitable for rough screening. The sensitivity of the selected model was assessed by calculating the limit of quantification (LOQ), and the results indicated that the calculated LOQ values for VM in both chip and ground biomass and FC in chip biomass are lower than the minimum reference values used during model development, signifying a high level of sensitivity. However, for the remaining parameters, the LOQ values surpass the established minimum reference value, suggesting the model could not predict the future samples with reference value lower than the calibration range. Nevertheless, enhancing the models by incorporation an ample number of representative biomass samples and consistently validating the models with unknown samples is imperative to ensure accurate predictions. Partial least squares regression ; Thermogravimetric analysis ; Biomass (ecology) ; Coefficient of determination ; Mean squared error ; Analytical Chemistry (journal) ; Chemistry ; Mathematics ; Environmental science ; Materials science ; Chromatography ; Statistics ; Geology Spectroscopy and Chemometric Analyses ; Thermochemical Biomass Conversion Processes ; Spectroscopy Techniques in Biomedical and Chemical Research