Model Development for the Optimization of Operational Conditions of the Pretreatment of Wheat Straw
| Autor: | Gürkan Sin, Jasper L.S.P. Driessen, Solange I. Mussatto, Celina Kiyomi Yamakawa, Krist V. Gernaey, Nikolaus I. Vollmer |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
Optimization
Coefficient of determination Chemistry General Chemical Engineering Analytical chemistry Modeling and Prediction Dilute acid Lignocellulosic biomass Lignocellulosic Biomass Pretreatment General Chemistry Straw Xylose Industrial and Manufacturing Engineering Biorefinery Machine Learning chemistry.chemical_compound Yield (chemistry) Environmental Chemistry Model development |
| Zdroj: | Vollmer, N I, L.S.P. Driessen, J, Yamakawa, C K, Gernaey, K V, Mussatto, S I & Sin, G 2022, ' Model Development for the Optimization of Operational Conditions of the Pretreatment of Wheat Straw ', Chemical Engineering Journal, vol. 430, 133106 . https://doi.org/10.1016/j.cej.2021.133106 |
| Popis: | The underlying study presents models for the optimization of operational conditions of lignocellulosic biomass pretreatment to facilitate the conceptual process design of biorefineries. Experiments for hydrothermal and dilute acid pretreatment are performed and analyzed. The highest xylose monomer yield obtained for dilute acid pretreatment is Y Xyl = 98 % at a temperature of T = 195 °C , a reaction time of t = 18 m i n and a dilute acid concentration of C acid = 1.25 w t % . The data is used to fit a response surface model (RSM), a Gaussian process regression model (GPR), and a mechanistic model based on thermodynamic principles and first-order rate equations. All models are validated respectively with a coefficient of determination of R RSM 2 = 0.914 , R GPR 2 = 0.999 and R mech 2 = 0.988 . Each model is used in an optimization problem to predict the optimal operational conditions that maximize the xylose yield. The conditions found by the mechanistic model T = 191 . 6 ° C , t = 18 m i n , C ac = 1.13 w t % with C Xyl , m e c h = 23.47 w t % and the GPR T = 195 ° C , t = 18 m i n , C ac = 1.25 w t % with C Xyl , G P R = 23.23 w t % are in agreement and stand out compared to the RSM metamodeling approach T = 182 . 4 ° C , t = 26.2 m i n , C ac = 1.25 w t % , which yields C Xyl , R S M = 25.72 w t % . Considering the scenario of uncertainty in the feedstock composition, the optimization under this uncertainty with the mechanistic model yields slightly different conditions T = 182 . 6 ° C , t = 18 m i n , C ac = 0.84 w t % and C Xyl , m e c h , u c = 20.88 w t % . Given the underlying phenomena in the biomass pretreatment, all models have shortcomings; however, the mechanistic model is validated best overall and is thus recommended for further engineering purposes as, e.g., the conceptual process design of biorefineries. |
| Databáze: | OpenAIRE |
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