Article
Chemistry, Analytical
Shuyue Li, Zhan Shu, Junwu Wang
Summary: The study found that the variation in particle diameter during coal pyrolysis significantly influences flow and reaction characteristics, including particle density, velocity distribution, temperature behavior, pyrolysis rate, and yield.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2021)
Article
Green & Sustainable Science & Technology
Artur Bieniek, Wojciech Jerzak, Marcin Gajek, Aneta Magdziarz
Summary: This study conducted 2D numerical calculations of fast pyrolysis with partial oxidation of pine and pine bark using a drop-tube reactor at 550 degrees C. Experimental verification was done through thermogravimetric analysis of the materials involved. The results showed that increasing oxygen content in the carrier gas led to a linear reduction in char content and a decrease in required energy for pyrolysis.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Chemistry, Analytical
Artur Bieniek, Malgorzata Sieradzka, Wojciech Jerzak, Aneta Magdziarz
Summary: This study investigated the fast pyrolysis of agricultural biomass (oat and corn straw) in a drop-tube reactor through numerical calculations and experimental verification. The optimal operating parameters for the highest bio-oil production were determined.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Computer Science, Interdisciplinary Applications
Pawel Jan Zuk, Bartosz Tuznik, Tadeusz Rymarz, Kamil Kwiatkowski, Marek Dudynski, Flavio C. C. Galeazzo, Guenther C. Krieger Filho
Summary: This paper presents the porousGasificationFoam solver and libraries, developed in the open-source C++ code OpenFOAM, for comprehensive simulation of thermochemical conversion in porous media. The model is validated against experimental and theoretical results, showing its accuracy and precision, as well as the influence of porous media size on the gasification process.
COMPUTER PHYSICS COMMUNICATIONS
(2022)
Review
Chemistry, Analytical
Hao Luo, Xiaobao Wang, Xinyan Liu, Xiaoqin Wu, Xiaogang Shi, Qingang Xiong
Summary: This paper reviews the recent advances in multi-scale computational fluid dynamics (CFD) simulations of biomass pyrolysis in fluidized bed reactors. The interconnection among molecular-scale, particle-scale, CFD cell-scale, and reactor-scale are discussed, along with the frameworks of Eulerian-Lagrangian (E-L) and Eulerian multi-fluid model (MFM). The theoretical basis and practical applications of particle-scale models, as well as their coupling with CFD cell-scale and molecular-scale models, are highlighted. The future work to develop reliable and efficient CFD models for simulating biomass pyrolysis in fluidized bed reactors is outlined.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2022)
Article
Engineering, Environmental
Zheng-hao Yang, Zhen He, Xiang-gang Zhang, Xia Jiang, Zi-heng Jin, Jian-ping Li, Liang Ma, Hua-lin Wang, Yu-long Chang
Summary: The circulating fluidized bed (CFB) reactor, commonly used in biomass fast pyrolysis, faces challenges in separating biochar from the heat carrier. To address this, a novel in-situ gas flow bed separator was designed, enabling efficient separation of biochar and the heat carrier. The separation efficiency was studied under different operational conditions, revealing the significant influence of bubble activity and the density and size disparities of binary particles. With the optimal conditions, a separation efficiency of 99% was achieved. This innovative technology holds great potential for enhancing product yields and competitiveness in fast pyrolysis applications.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Analytical
Tae-Hoon Kim, Myung Kyu Choi, Hang Seok Choi
Summary: This study utilized data-based prediction algorithms to model a biomass fast pyrolyzer and predict the yields of major products. Eight data-based prediction models were compared, indicating better agreement with experimental results compared to traditional lumped process models. The study provides new guidelines for modeling fast pyrolysis reactions using data-based prediction methods.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2022)
Article
Chemistry, Analytical
Mario Sanchez, Juan C. Maya, Brennan Pecha, Farid Chejne, Adriana M. Quinchia-Figueroa
Summary: A low computational cost model was used to study the effect of various factors on biomass anisotropic particle pyrolysis. The model considered shrinking anisotropic particles with biomass pseudo-components, liquid intermediates, and secondary reactions. The results showed that considering the change of particle thermal conductivity anisotropy and the temperature dependency of thermal conductivities improved the accuracy of mass loss prediction. The CRECK pyrolysis reaction scheme provided insights into the evolution of liquid intermediates. Secondary intraparticle vapor phase reactions had a negligible effect on volatiles conversion, while heterogeneous reactions slightly overestimated its conversion. Heats of reaction and product advection were important for accurate prediction of particle mass loss.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2022)
Article
Engineering, Chemical
Liqiang Lu, Cheng Li, Steven Rowan, Bryan Hughes, Xi Gao, Mehrdad Shahnam, William A. Rogers
Summary: This research utilized a video-based continuous measurement method to investigate the elutriation rate of biochar in a fluidized bed, simulated using computational fluid dynamics-coarse-grained discrete element method (CFD-CGDEM) in MFiX. The study found that the fluidization behavior of nonspherical sands can be accurately captured with the use of a rolling friction model, and the predicted elutriation rate closely matched experimental results when considering particle size distributions and using a shape-corrected filtered drag. These findings validate the accuracy of the MFiX-based CFD framework for predicting biochar elutriations in fluidized bed biomass fast pyrolysis reactors.
Article
Agricultural Engineering
S. Y. Huang, C. Y. Chen, W. Y. Hsu, A. N. Huang, H. P. Kuo
Summary: The Eulerian multiphase approach is used to investigate a rice husk fluidized bed pyrolyzer with a minimum fluidization velocity of 0.1 m/s. A four-phase modeling is adopted to account for the different hydrodynamic behavior of freshly fed biomass and pyrolyzed product char. The results show the independent motion of the char phase and the lowest position that light char can reach is determined by the biomass entrance position. Computational economic global kinetic model provides good char yield prediction at a fluidizing velocity of 0.3 m/s, with a deviation of 0.27% from experimental result.
BIOMASS & BIOENERGY
(2023)
Article
Engineering, Chemical
Ahmed Elrahmani, Riyadh I. I. Al-Raoush, Hamza Abugazia, Thomas Seers
Summary: The transport of fine particles in porous media is important in various industrial and natural processes. This study presents a computational modeling framework based on coupled computational fluid dynamics and discrete element method to simulate the migration of fine particles in realistic porous media. The model's setup was validated and used to investigate the impact of flow velocity and particle size on permeability reduction in porous media.
Article
Energy & Fuels
Joseph Darido, Amal Dhahak, Roda Bounaceur, Celine Le Dreff-Lorimier, Gontrand Leyssens, Fabrice Cazier, Paul Genevray, Frederique Battin-Leclerc
Summary: This study aims to control pollutant emissions from domestic wood burning by first conducting temperature and pollutant measurements, followed by attempting simulation using a detailed chemical model. Results show that by adjusting model parameters to simulate smoke temperature and CO2 mole fraction, a reasonably accurate simulation of pollutants for seven wood batches was achieved.
Article
Engineering, Chemical
Maurizio Troiano, Valeria Ianzito, Roberto Solimene, Elvis Tinashe Ganda, Piero Salatino
Summary: A one-dimensional model of a fluidized bed pyrolytic converter for biomass is presented in this paper. The fate of biomass and resulting char is modelled by considering elutriation, attrition, and bed drain/regeneration. The study focuses on the role of heterogeneous volatile-char secondary reactions and their importance in controlling char loading in the bed. The results highlight the significance of these reactions in reactor performance and provide guidelines for optimal design and control of fluidized bed pyrolyzers.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Thermodynamics
Siyu Wang, Kai Wu, Sheng Chu, Jiajun Yu, Yihan Wang, Bingbing Luo, Huiyan Zhang
Summary: A coupled DEM-CFD model was proposed to investigate the thermal conversion and pyrolysis behavior of biomass catalytic pyrolysis in fixed bed and mechanically fluidized bed reactors. The key factors that restrict the pyrolysis process in the mechanically fluidized bed reactor with double-helical ribbons were investigated. The effects of rotation speed on heating rate and product yield were analyzed to understand the evolution of heating rate uniformity. Furthermore, the biochar residuals produced by pyrolysis were utilized as internal heat sources and catalysts.
ENERGY CONVERSION AND MANAGEMENT
(2023)
Article
Green & Sustainable Science & Technology
Alok Dhaundiyal, Divine Atsu
Summary: A pilot size reactor was tested to examine its design suitability for effective gas generation. The thermal efficiency and chemical exergy of the reactor were calculated for different temperature ranges, showing higher efficiency for higher temperatures and dried biomass. The study aims to provide a clean energy generation method by improving the exergetic content of the reactor.
JOURNAL OF CLEANER PRODUCTION
(2021)
Article
Nanoscience & Nanotechnology
Wenxiang Liu, Yongqiang Wu, Yang Hong, Zhongtao Zhang, Yanan Yue, Jingchao Zhang
Summary: Machine learning has been extensively applied in computational nanotechnology, enabling efficient calculations, accurate property predictions, and accelerated material discovery. This review provides an overview of recent research progress in these areas, as well as future directions for data-driven research activities.
Article
Energy & Fuels
Xing Zhang, Jingfeng Wu, Lingjun Zhu, Shurong Wang
Summary: A novel strategy was proposed to produce diesel-like liquid fuel from lignin-derived bio-oil and plant/animal oil through hydrodeoxygenation-in situ esterification. The utilization of both aromatic units and -OCH3 groups of lignin was achieved. Model compounds, guaiacol and lauric acid, successfully produced cyclohexyl laurate and methyl laurate, satisfying the biodiesel standard. The yield of esters reached 112.5 mol % with nearly complete conversion of guaiacol. The presence of an additional -OCH3 group hindered the formation of cyclohexanol while increasing the yield of methanol. Lignin-derived dimers were also efficiently converted into diesel-like liquid fuel rich in esters and cycloalkanes.
Article
Engineering, Environmental
Shaoqiu Ding, Xinhong Han, Lingjun Zhu, Hanyu Hu, Liwu Fan, Shurong Wang
Summary: Low-temperature carbonized aerogels derived from biomass materials are proposed as an effective solution for absorbing oils from contaminated water, showing high absorption capacities and separation efficiencies even in harsh environments.
Article
Chemistry, Multidisciplinary
Hongcai Su, Yanjun Hu, Hongyu Feng, Lingjun Zhu, Shurong Wang
Summary: The widespread use of plastic has caused significant pollution challenges worldwide. Polyethylene terephthalate (PET) waste, as the most common polyester plastic, can be effectively converted into H2 fuel and terephthalic acid through a novel and simple one-pot strategy. A high H2 yield and carbon conversion efficiency were achieved using a Ru-5ZnO/ mesoporous carbon (MEC) catalyst at a low temperature of 250 degrees C. This sustainable solution has been successfully applied to different types of PET waste and shows great potential for practical applications.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Energy & Fuels
Pothala Jayalakshmi, Mopuri Obulesu, Charan Kumar Ganteda, Malaraju Changal Raju, Sibyala Vijayakumar Varma, Giulio Lorenzini
Summary: The present study investigates the steady three-dimensional flow of a Sisko fluid over a bidirectional stretching sheet under the influence of Lorentz force. Heat transfer effects have been studied for constant heat flux and Newtonian heating systems. The effects of controlling parameters on flow and derived quantities are presented in graphs and tables. Numerical benchmarks are used to characterize the effects of skin friction and heat transfer rates. It is noticed that in the case of Newtonian heating, the rate of heat transfer is higher than that in the constant heat flux case. As the stretching parameter increases, the fluid temperature decreases in both Newtonian heating and constant heat flux. Successive over (under) relaxation (SOR) approaches significantly improve the convergence speed and stability of the SRM system. The current findings strongly agree with earlier studies in the case of Newtonian fluid when the magnetic field is absent.
Article
Energy & Fuels
Kaifeng Lu, Yifan Wang, Lingjun Zhu, Bo Xing, Shurong Wang
Summary: This study demonstrated the potential of using heteropoly acid as a catalyst in a green solvent system composed of gamma-valerolactone and water for the production of levulinic acid from biomass-derived saccharides. Silicotungstic acid had the highest catalytic activity and could achieve a levulinic acid yield of 87.7% from glucose conversion under optimal conditions.
Review
Energy & Fuels
Bo Xing, Yanjun Hu, Dan Xu, Bingshuo Li, Yanlong Li, Wenjie Guan, Rundong Li, Shurong Wang
Summary: This paper reviews recent advances in the copyrolysis of biomass and organic solid waste (OSW) and highlights the potential of this process for the reutilization of waste materials and the production of alternative energy sources. The study discusses the mechanisms, thermal-chemical processes, and effects on product characteristics, as well as the challenges and future perspectives of copyrolysis.
Article
Chemistry, Multidisciplinary
Bo Hou, Felix Cosmin Mocanu, Yuljae Cho, Jongchul Lim, Jiangtao Feng, Jingchao Zhang, John Hong, Sangyeon Pak, Jong Bae Park, Young-Woo Lee, Juwon Lee, Byung-Sung Kim, Stephen M. Morris, Jung Inn Sohn, SeungNam Cha, Jong Min Kim
Summary: Computational simulations and electron microscopy in this study reveal that nanofaceting can occur during nanocrystal synthesis, leading to curved interfaces and olivelike-shaped nanoparticles.
Article
Chemistry, Multidisciplinary
Hongcai Su, Dan Xu, Tian Li, Lingjun Zhu, Shurong Wang
Summary: This study presents a new strategy for converting polypropylene waste into H-2 fuel in a mild and clean manner. By oxidizing the waste into small-molecule organic acids and then catalytically reforming the oxidation products, a high yield and purity of H-2 fuel can be obtained. This strategy not only has the advantages of high efficiency and purity, but also maintains the relative stability and cleanliness of the system.
Article
Energy & Fuels
Chengzhi Zhang, Jingfeng Wu, Canhao Hua, Lingjun Zhu, Kunzan Qiu, Shurong Wang
Summary: This study prepared catalysts using Nb2O5 supports with three different crystal structures (pseudohexagonal-TT, orthorhombic-T, and monoclinic-H) and loaded bimetal Ni and Co for the hydrodeoxygenation (HDO) of lignin-derived phenolics. The research found that the structural properties and acidity of the supports and catalysts deteriorated with increasing calcination temperatures. Additionally, the interaction strength between the supports and active metals and the catalyst reduction times were related to the oxygen vacancy content. The best catalyst exhibited complete conversion of reactant and high cycloalkane selectivity.
Article
Chemistry, Analytical
Zihang Zhang, Dan Xu, Zijian He, Shurong Wang
Summary: This study investigated the co-pyrolysis characteristics, kinetics, gas and liquid products of cellulose and PET mixtures using a two-stage reactor and deep learning approach. The results accurately predicted the thermal decomposition process and synergistic effects using temperature, catalyst, mixing ratio, and heating rate variables. The co-pyrolysis of cellulose and PET led to a reduction in carbohydrates, furans, alcohols, ketones, and phenols, while increasing the content of acids. The introduction of ZSM-11 resulted in an increase in aromatics and a decrease in acids content. This work provides valuable guidance for effective disposal of municipal solid waste and the application of deep learning methods.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Chemistry, Physical
Jinzhe Zeng, Duo Zhang, Denghui Lu, Pinghui Mo, Zeyu Li, Yixiao Chen, Marian Rynik, Li'ang Huang, Ziyao Li, Shaochen Shi, Yingze Wang, Haotian Ye, Ping Tuo, Jiabin Yang, Ye Ding, Yifan Li, Davide Tisi, Qiyu Zeng, Han Bao, Yu Xia, Jiameng Huang, Koki Muraoka, Yibo Wang, Junhan Chang, Fengbo Yuan, Sigbjorn Loland Bore, Chun Cai, Yinnian Lin, Bo Wang, Jiayan Xu, Jia-Xin Zhu, Chenxing Luo, Yuzhi Zhang, Rhys E. A. Goodall, Wenshuo Liang, Anurag Kumar Singh, Sikai Yao, Jingchao Zhang, Renata Wentzcovitch, Jiequn Han, Jie Liu, Weile Jia, Darrin M. York, Weinan E, Roberto Car, Linfeng Zhang, Han Wang
Summary: DeePMD-kit is a powerful open-source software package that allows molecular dynamics simulations using Deep Potential (DP) models. It has been widely used in various fields for studying atomistic systems. The latest version of DeePMD-kit offers advanced features, improved usability, and a comprehensive procedure for conducting molecular dynamics. This article provides an overview of the software package, its features, technical details, and benchmarks the accuracy and efficiency of different models.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Yangkai Sun, Dan Xu, Zijian He, Zihang Zhang, Liwu Fan, Shurong Wang
Summary: This study proposes a method for the directional preparation of hierarchical porous carbon materials using carbon aerogels assisted by mantis shrimp shells. The resulting carbon materials exhibit a porous structure with a reasonable pore size distribution, high specific surface area, and N/O doping, leading to excellent electrochemical properties. The hierarchical porous structure prepared with the assistance of mantis shrimp shells promotes the rapid diffusion of ions, enabling the achievement of high energy densities in supercapacitors.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Materials Science, Multidisciplinary
Mohammad Reza Hajmohammadi, Javad Najafiyan, Giulio Lorenzini
Summary: This study compares three computational approaches for optimizing a thermal conduction problem. The results show that the methods yield similar results in terms of maximum temperature, but the Direct Method (DM) is the fastest when the number of optimization variables is low, while the Pattern Search (PS) technique becomes faster than the Genetic Algorithm (GA) as the number of variables for optimization increases.
FDMP-FLUID DYNAMICS & MATERIALS PROCESSING
(2023)
Article
Energy & Fuels
Mostafa Esmaeili Shayan, Gholamhassan Najafi, Giulio Lorenzini
Summary: This study developed a technique for infiltrating phase-change material (PCM) into composite metals using pressure and vacuum in graphite foam. The researchers successfully created porosity and infiltrated PCM pellets into the metal using this method. The infiltration process is cost-efficient and simple, making it suitable for energy storage in concentrating solar power plants.
INTERNATIONAL JOURNAL OF ENERGY AND ENVIRONMENTAL ENGINEERING
(2022)
