Prediction of acid-catalyzed steam explosion biomass product yield based on machine learning algorithms

LIU Chenyu; GUAN Zhaofeng; YU Meng; HE Zhipeng; WANG Yupeng; ZHANG Xueying; ZHOU Jun

doi:10.11949/0438-1157.20260830

您当前的位置：

首页 >

文章列表页 >

Prediction of acid-catalyzed steam explosion biomass product yield based on machine learning algorithms

更新时间：2026-07-16

- Prediction of acid-catalyzed steam explosion biomass product yield based on machine learning algorithms
- CIESC Journal (2026)
- 作者机构：
  
  1.南京工业大学环境科学与工程学院，江苏南京 211816
  南京工业大学生物与制药工程学院，江苏南京 211816
  厦门大学化学化工学院，福建厦门，361005
- 作者简介：
- 基金信息：
- DOI：10.11949/0438-1157.20260830
  CLC： TK 6;TP181
- Received：15 June 2026，
  
  Revised：2026-07-15，
  
  Accepted：16 July 2026，
- 稿件说明：
移动端阅览
LIU Chenyu, GUAN Zhaofeng, YU Meng, et al. Prediction of acid-catalyzed steam explosion biomass product yield based on machine learning algorithms[J/OL]. CIESC Journal, 2026.
DOI：

LIU Chenyu, GUAN Zhaofeng, YU Meng, et al. Prediction of acid-catalyzed steam explosion biomass product yield based on machine learning algorithms[J/OL]. CIESC Journal, 2026. DOI： 10.11949/0438-1157.20260830.

摘要

预处理可以有效提高木质纤维素中糖的释放量，其中酸催化蒸汽爆破是一种广泛的预处理方法。通过整合文献与实验数据，构建了包含生物质、酸性催化剂、蒸汽爆破条件和酶解条件等参数的数据集，使用MissForest进行数据填充，在此基础上利用贝叶斯优化和5折交叉验证对随机森林（Random Forest，RF）等四种模型进行调优构建了高精度的产量预测模型，结果表明纤维素保留率、半纤维素去除率、糠醛、5-羟甲基糠醛（HMF）、乙酸和酶解葡萄糖产量预测的决定系数（R-Square，R

）均超过了0.80。基于SHAP（Shapley Additive exPlanations）与偏依赖分析：原料中低半纤维素（

18 wt%）利于提高固体残渣纤维素保留率，高温预处理可弥补弱酸（高pKa）催化不足以促进半纤维素去除；蒸汽爆破温度主导糠醛与HMF生成，在低纤维素含量（

13 wt%）与高温（220 ℃）下糠醛最少且HMF受到抑制；乙酸受酸浓度和半纤维素共同影响；延长酶解时间（

70 h）可最大化葡萄糖产量。此外，本文开发了基于Web端的可执行文件，将模型转化成为实际可视化和可操作的应用，弥补了复杂数据分析之间的差距。本研究为生物质蒸汽爆破的智能化调控和应用提供了高效预测工具和理论基础。

Abstract

Pretreatment can effectively enhance the release of sugars from lignocellulose

with acid-catalyzed steam explosion being a widely used pretreatment method. By integrating literature and experimental data

a dataset encompassing parameters such as biomass

acidic catalyst

steam explosion conditions

and enzymatic hydrolysis condit

ions was constructed. MissForest was employed for data imputation. Based on this

Bayesian optimization and 5-fold cross-validation were utilized to fine-tune four models

including Random Forest (Random Forest，RF)

to construct a high-precision yield prediction model. The results indicated that the determination coefficients (R-Square，R

) for cellulose retention rate

hemicellulose removal rate

furfural

5-hydroxymethylfurfural (HMF)

acetic acid

and enzymatic glucose yield prediction all exceeded 0.80. Based on SHAP（Shapley Additive exPlanations） and partial dependence analysis

a low hemicellulose content (

18 wt%) in the raw material is beneficial for enhancing the cellulose retention rate of solid residue

and high-temperature pretreatment can compensate for the insufficient promotion of hemicellulose removal by weak acid (high pKa) catalysis. Steam explosion temperature primarily determines the formation of furfural and HMF. At low cellulose content (

13 wt%) and high temperature (220 ℃)

furfural is minimized and HMF is suppressed. Acetic acid is jointly influenced by acid concentration and hemicellulose. Extending enzymatic hydrolysis time (

70 h) can maximize glucose yield. Furthermore

this study developed a web-based executable file to transform the model into a practical

visual

and operable application

bridging the gap between complex data analysis and practical use. This research provides an efficient prediction tool and theoretical foundation for the intelligent regulation and application of biomass steam explosion.

关键词

Keywords

references

Giummarella N , Pu Y Q , Ragauskas A J , et al . A critical review on the analysis of lignin carbohydrate bonds [J ] . Green Chemistry , 2019 , 21 ( 7 ): 1573 - 1595 .

Tu W C , Hallett J P . Recent advances in the pretreatment of lignocellulosic biomass [J ] . Current Opinion in Green and Sustainable Chemistry , 2019 , 20 : 11 - 17 .

何晓琴 , 李苇舟 , 李富华 , 等 . 蒸汽爆破预处理在农产品加工副产物综合利用中的应用 [J ] . 食品与发酵工业 , 2019 , 45 ( 8 ): 252 - 257 .

He X Q , Li W Z , Li F H , et al . Application of steam-explosion pretreatment in utilizing agricultural by-products [J ] . Food and Fermentation Industries , 2019 , 45 ( 8 ): 252 - 257 .

Guerrero A B , Ballesteros I , Ballesteros M . Optimal conditions of acid-catalysed steam explosion pretreatment of banana lignocellulosic biomass for fermentable sugar production [J ] . Journal of Chemical Technology & Biotechnology , 2017 , 92 ( 9 ): 2351 - 2359 .

Kumar V , Yadav S K , Kumar J , et al . A critical review on current strategies and trends employed for removal of inhibitors and toxic materials generated during biomass pretreatment [J ] . Bioresource Technology , 2020 , 299 : 122633 .

Xie T T , Fan M S . Machine learning models for predicting enzymatic hydrolysis yields of lignocellulosic biomass after various pretreatments [J ] . Industrial Crops and Products , 2025 , 235 : 121644 .

Zhang Y , Zhao T , Xiao L , et al . Machine learning prediction of glucose production from lignocellulosic biomass through various pretreatment methods [J ] . Biomass and Bioenergy , 2026 , 207 : 108811 .

Huang X Y , Zhang X , He Y , et al . Leveraging machine learning for acid catalyzed steam explosion pretreatment: Towards supporting fermentation by the trade-off between glucose and inhibitors [J ] . Journal of Cleaner Production , 2024 , 448 : 141530 .

Zhang Y , Feng Y J , Ren Z H , et al . Tree-based machine learning model for visualizing complex relationships between biochar properties and anaerobic digestion [J ] . Bioresource Technology , 2023 , 374 : 128746 .

Liu M X , Tao J Y , Mu L , et al . Machine learning-driven predictions of biochar yield and NPK composition: insights into biomass pyrolysis with data augmentation and model interpretability [J ] . Carbon Research , 2025 , 4 ( 1 ): 62 .

Huang X , Bai X P , Yang Y F , et al . Machine learning-based prediction and optimization of heavy metal adsorption performance of biochar [J ] . Forests , 2026 , 17 ( 3 ): 326 .

Sun Y G , Ma Y L , Wang L Q , et al . Physicochemical properties of corn stalk after treatment using steam explosion coupled with acid or alkali [J ] . Carbohydrate Polymers , 2015 , 117 : 486 - 493 .

Wang L , Fan X G , Tang P , et al . Xylitol fermentation using hemicellulose hydrolysate prepared by acid pre-impregnated steam explosion of corncob [J ] . Journal of Chemical Technology & Biotechnology , 2013 , 88 ( 11 ): 2067 - 2074 .

朱均均 , 杨金龙 , 张玲玲 , 等 . 稀酸蒸汽爆破玉米秸秆预水解液的脱毒及乙醇发酵 [J ] . 林产化学与工业 , 2014 , 34 ( 05 ): 60 - 66 .

Zhu J J , Yang J L , Zhang L L , et al . Detoxification and Ethanol Fermentation of the Acid-catalysed Steam-exploded Corn Stover Pre-hydrolyzate [J ] . Chemistry and Industry of Forest Products , 2014 , 34 ( 5 ), 60 - 66 .

Bondesson P M , Galbe M , Zacchi G . Ethanol and biogas production after steam pretreatment of corn stover with or without the addition of sulphuric acid [J ] . Biotechnology for Biofuels , 2013 , 6 ( 1 ): 11 .

Fan F M , Liu H X , Xia C X , et al . Study of the pre-treatment technology of corn stover by two-step steam explosion [J ] . Environment, Development and Sustainability , 2025 .

Zimbardi F , Viola E , Nanna F , et al . Acid impregnation and steam explosion of corn stover in batch processes [J ] . Industrial Crops and Products , 2007 , 26 ( 2 ): 195 - 206 .

苏昊 . 蒸汽爆破秸秆半纤维素湿热转化机制的研究 [D ] . 天津 : 天津科技大学 , 2020 .

Su H . Study on hydrothermal conversion mechanism of corn stalk hemicellulose by steam explosion [D ] . Tianjin : Tianjin University of Science & Technology , 2020 .

Wang W , Ling H Z , Zhao H . Steam explosion pretreatment of corn straw on xylose recovery and xylitol production using hydrolysate without detoxification [J ] . Process Biochemistry , 2015 , 50 ( 10 ): 1623 - 1628 .

Lizasoain J , Trulea A , Gittinger J , et al . Corn stover for biogas production: Effect of steam explosion pretreatment on the gas yields and on the biodegradation kinetics of the primary structural compounds [J ] . Bioresource Technology , 2017 , 244 : 949 - 956 .

Zhao C , Deng L , Fang H , et al . Microbial oil production by Mortierella isabellina from corn stover under different pretreatments [J ] . RSC Advances , 2017 , 7 ( 89 ): 56239 - 56246 .

Feng X T , Yao Y N , Xu N , et al . Pretreatment affects profits from xylanase during enzymatic saccharification of corn stover through changing the interaction between lignin and xylanase protein [J ] . Frontiers in Microbiology , 2021 , 12 : 754593 .

Liu Z H , Chen H Z . Xylose production from corn stover biomass by steam explosion combined with enzymatic digestibility [J ] . Bioresource Technology , 2015 , 193 : 345 - 356 .

Chen W H , Pen B L , Yu C T , et al . Pretreatment efficiency and structural characterization of rice straw by an integrated process of dilute-acid and steam explosion for bioethanol production [J ] . Bioresource Technology , 2011 , 102 ( 3 ): 2916 - 2924 .

Semwal S , Raj T , Kumar R , et al . Process optimization and mass balance studies of pilot scale steam explosion pretreatment of rice straw for higher sugar release [J ] . Biomass and Bioenergy , 2019 , 130 : 105390 .

Chen W H , Tsai C C , Lin C F , et al . Pilot-scale study on the acid-catalyzed steam explosion of rice straw using a continuous pretreatment system [J ] . Bioresource Technology , 2013 , 128 : 297 - 304 .

Gaur R , Agrawal R , Kumar R , et al . Evaluation of recalcitrant features impacting enzymatic saccharification of diverse agricultural residues treated by steam explosion and dilute acid [J ] . RSC Advances , 2015 , 5 ( 75 ): 60754 - 60762 .

Semwal S , Sivagurunathan P , Satlewal A , et al . An efficient and cost- effective pretreatment of rice straw using steam explosion: a pilot scale experience [J ] . Waste and Biomass Valorization , 2024 , 15 ( 4 ): 1975 - 1986 .

Lotfi Aski A , Borghei A , Zenouzi A , et al . Effect of steam explosion on the structural modification of rice straw for enhanced biodegradation and biogas production [J ] . BioResources , 2019 , 14 ( 1 ): 464 - 485 .

Linde M , Jakobsson E L , Galbe M , et al . Steam pretreatment of dilute H 2 SO 4 -impregnated wheat straw and SSF with low yeast and enzyme loadings for bioethanol production [J ] . Biomass and Bioenergy , 2008 , 32 ( 4 ): 326 - 332 .

Alvira P , Negro M J , Ballesteros I , et al . Steam explosion for wheat straw pretreatment for sugars production [J ] . Bioethanol , 2016 , 2 ( 1 ): 66 - 75 .

Ballesteros I , Negro M J , Oliva J M , et al . Ethanol Production From Steam-Explosion Pretreated Wheat Straw [J ] . Twenty-Seventh Symposium on Biotechnology for Fuels and Chemicals , 2006 : 496 - 508 .

Liu M R , Hui L F . Acetic acid catalyzed steam explosion for improving the sugar recovery of wheat straw [J ] . BioResources , 2014 , 9 ( 3 ): 4703 - 4709 .

Cui L , Liu Z , Si C L , et al . Influence of steam explosion pretreatment on the composition and structure of wheat straw [J ] . BioResources , 2012 , 7 ( 3 ): 4202 - 4213 .

Pal S , Joy S , Kumbhar P , et al . Pilot-scale pretreatments of sugarcane bagasse with steam explosion and mineral acid, organic acid, and mixed acids: synergies, enzymatic hydrolysis efficiencies, and structure-morphology correlations [J ] . Biomass Conversion and Biorefinery , 2017 , 7 ( 2 ): 179 - 189 .

Pitarelo A P , da Fonseca C S , Chiarello L M , et al . Ethanol production from sugarcane bagasse using phosphoric acid-catalyzed steam explosion [J ] . Journal of the Brazilian Chemical Society , 2016 : 27 ( 10 ): 1889 - 1898 .

Fockink D H , Sánchez J H , Ramos L P . Comprehensive analysis of sugarcane bagasse steam explosion using autocatalysis and dilute acid hydroly sis (H 3 PO 4 and H 2 SO 4 ) at equivalent combined severity factors [J ] . Industrial Crops and Products , 2018 , 123 : 563 - 572 .

do Espírito Santo M C , Cardoso E B , Guimaraes F E G , et al . Multifaceted characterization of sugarcane bagasse under different steam explosion severity conditions leading to distinct enzymatic hydrolysis yields [J ] . Industrial Crops and Products , 2019 , 139 : 111542 .

Iroba K L , Tabil L G , Sokhansanj S , et al . Pretreatment and fractionation of barley straw using steam explosion at low severity factor [J ] . Biomass and Bioenergy , 2014 , 66 : 286 - 300 .

Dai N H , Huynh K T T , Nguyen T A D , et al . Hydrothermal and steam explosion pretreatment of bambusa stenostachya bamboo [J ] . Waste and Biomass Valorization , 2021 , 12 ( 7 ): 4103 - 4112 .

Yuan Z Y , Li G D , Wei W Q , et al . A comparison of different pre-extraction methods followed by steam pretreatment of bamboo to improve the enzymatic digestibility and ethanol production [J ] . Energy , 2020 , 196 : 117156 .

Hu Y H , Wu R Y , Lin Y C , et al . A novel MissForest-based missing values imputation approach with recursive feature elimination in medical applications [J ] . BMC Medical Research Methodology , 2024 , 24 ( 1 ): 269 .

de O Buanafina M M . Feruloylation in grasses: current and future perspectives [J ] . Molecular Plant , 2009 , 2 ( 5 ): 861 - 872 .

Kootstra A M J , Beeftink H H , Scott E L , et al . Comparison of dilute mineral and organic acid pretreatment for enzymatic hydrolysis of wheat straw [J ] . Biochemical Engineering Journal , 2009 , 46 ( 2 ): 126 - 131 .

Lloyd T A , Wyman C E . Combined sugar yields for dilute sulfuric acid pretreatment of corn stover followed by enzymatic hydrolysis of the remaining solids [J ] . Bioresource Technology , 2005 , 96 ( 18 ): 1967 - 1977 .

Świątek K , Gaag S , Klier A , et al . Acid hydrolysis of lignocellulosic biomass: sugars and furfurals formation [J ] . Catalysts , 2020 , 10 ( 4 ): 437 .

Chen H Z , Liu Z H . Steam explosion and its combinatorial pretreatment refining technology of plant biomass to bio-based products [J ] . Biotechnology Journal , 2015 , 10 ( 6 ): 866 - 885 .

Martín C , Wu G C , Wang Z , et al . Formation of microbial inhibitors in steam-explosion pretreatment of softwood impregnated with sulfuric acid and sulfur dioxide [J ] . Bioresource Technology , 2018 , 262 : 242 - 250 .

De Clercq D , Wen Z G , Fei F , et al . Interpretable machine learning for predicting biomethane production in industrial-scale anaerobic co-digestion [J ] . Science of the Total Environment , 2020 , 712 : 134574 .

Jacquet N , Maniet G , Vanderghem C , et al . Application of steam explosion as pretreatment on lignocellulosic material: a review [J ] . Industrial & Engineering Chemistry Research , 2015 , 54 ( 10 ): 2593 - 2598 .

Sun X F , Xu F , Sun R C , et al . Characteristics of degraded cellulose obtained from steam-exploded wheat straw [J ] . Carbohydrate Research , 2005 , 340 ( 1 ): 97 - 106 .

Sarker T R , Pattnaik F , Nanda S , et al . Hydrothermal pretreatment technologies for lignocellulosic biomass: a review of steam explosion and subcritical water hydrolysis [J ] . Chemosphere , 2021 , 284 : 131372 .

Fa Xian J , Yong X U , Jun Jun Z H U , et al . Degradation of Four Non-lignin Components in Corn Stover by Pretreatment of Dilute Sulfuric Acid [J ] . Chemistry and Industry of Forest Products , 2015 , 35 ( 2 ): 38 - 46 .

Sulzenbacher D , Atzmüller D , Hawe F , et al . Optimization of steam explosion parameters for improved biotechnological use of wheat straw [J ] . Biomass Conversion and Biorefinery , 2023 , 13 ( 2 ): 1035 - 1046 .

Auxenfans T , Crônier D , Chabbert B , et al . Understanding the structural and chemical changes of plant biomass following steam explosion pretreatment [J ] . Biotechnology for Biofuels , 2017 , 10 ( 1 ): 36 .

Rocha G J M , Gonçalves A R , Nakanishi S C , et al . Pilot scale steam explosion and diluted sulfuric acid pretreatments: Comparative study aiming the sugarcane bagasse saccharification [J ] . Industrial Crops and Products , 2015 , 74 : 810 - 816 .

Hermundsgård D H , Ghoreishi S , Tanase-Opedal M , et al . Maximizing yields of furfural and 5-hydroxymethylfurfural in side streams from steam explosion of lignocellulosic residues [J ] . Biofuels, Bioproducts and Biorefining , 2025 , 19 ( 2 ): 319 - 336 .

Salak Asghari F , Yoshida H . Acid-catalyzed production of 5-hydroxymethyl furfural from d-fructose in subcritical water [J ] . Industrial & Engineering Chemistry Research , 2006 , 45 ( 7 ): 2163 - 2173 .

Rahikainen J L , Martin-Sampedro R , Heikkinen H , et al . Inhibitory effect of lignin during cellulose bioconversion: The effect of lignin chemistry on non-productive enzyme adsorption [J ] . Bioresource Technology , 2013 , 133 : 270 - 278 .

Ko J K , Um Y , Park Y C , et al . Compounds inhibiting the bioconversion of hydrothermally pretreated lignocellulose [J ] . Applied Microbiology and Biotechnology , 2015 , 99 ( 10 ): 4201 - 4212 .

钟禹 , 李由 , 吴越 , 等 . 低酸喷雾协同蒸汽爆破预处理对小麦秸秆结构及酶水解的影响 [J ] . 中国造纸学报 , 2022 , 37 ( 4 ): 16 - 24 .

Zhong Y , Li Y , Wu Y , et al . Effects of low-acid spraying combined with steam explosion pretreatment on structure and enzyme hydrolysis of wheat straw [J ] . Transactions of China Pulp and Paper , 2022 , 37 ( 4 ): 16 - 24 .

Views

下载量

CSCD

Alert me when the article has been cited

提交

Tools

Publicity Resources

Prediction of biomass pyrolysis product yield based on machine learning algorithms

Establishment of machine learning-driven biomass pyrolysis model and optimization of volatiles chemical looping reforming hydrogen production process

SINDy for discovering the governing equations of noisy rough granular flow in the homogeneous cooling state

Physics-informed spatio-temporal graph convolutional network for fermentation processes

Study on impact of impurities in coal chemical waste salt on solvation of NaCl and Na2SO4

Related Author

LIU Xiaoyu

LI Qichen

HUO Lili

ZHAO Lixin

YAO Zonglu

SUN Peihao

JIA Jixiu

ZHU Benhai

Related Institution

Institute of Agricultural Environment and Sustainable Development, Chinese Academy of Agricultural Sciences

Key Laboratory of Green and Low-carbon Agriculture in North China Plain, Ministry of Agriculture and Rural Affairs

Shaanxi Province Energy and Chemical Process Strengthening Key Laboratory, School of Chemical Engineering and Technology, Xi’an Jiaotong University

School of Chemical Engineering and Technology, Xi'an Jiaotong University, Shaanxi Province Energy and Chemical Process Strengthening Key Laboratory

College of Mechanical and Transportation Engineering, China University of Petroleum

⁰