Article
Computer Science, Interdisciplinary Applications
Magnus Furst, Andrea Bertolino, Alberto Cuoci, Tiziano Faravelli, Alessio Frassoldati, Alessandro Parente
Summary: An adaptable chemical kinetics optimization toolbox has been developed in this work, which can handle a large number of uncertain parameters and utilize various optimization methodologies. The toolbox is capable of handling experimental targets from different sources, showcasing its versatility in predicting chemical reactions.
COMPUTER PHYSICS COMMUNICATIONS
(2021)
Article
Chemistry, Analytical
Yu Zhong, Yanming Ding, Gonghua Jiang, Kaihua Lu, Changhai Li
Summary: The prediction of biomass pyrolysis behavior has attracted significant attention, and inverse modeling based on a specific kinetic scheme is the main predictive tool. However, due to the complex reaction mechanism involved, researchers are exploring the appropriate kinetic scheme for biomass pyrolysis. Artificial neural networks, including the uncommon Elman neural network, are being applied to prediction based on unknown kinetic schemes. Through optimization of the neural network structure and training methods, these neural networks exhibit superior prediction ability, especially in the shoulder and peak regions of mass loss rate curves.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Engineering, Civil
Ellen B. Wagman, Ari L. Frankel, Ryan M. Keedy, Victor E. Brunini, Matthew W. Kury, Brent C. Houchens, Sarah N. Scott
Summary: This paper demonstrates the successful application of classical gradient-based optimization to solve kinetic parameter calibration problems, highlighting the advantages and robustness of this method. It provides new insights for the development of kinetic parameter calibration methods.
FIRE SAFETY JOURNAL
(2021)
Article
Thermodynamics
Li Xu, Zhongzhe Zhu, Shengcai Li, Youchao Zhang, Lei Wang, Wanghu Sun
Summary: The thermokinetics of sassafras wood pyrolysis were studied via thermogravimetric inverse modeling. Model-free and model-fitting methods were used to explore the optimal kinetics. The obtained parameters fitted well with the experimental data, indicating their applicability and efficiency. A new optimization algorithm was proposed, providing guidance for further biomass pyrolysis evaluation.
Article
Biochemical Research Methods
Kazuhiro Maeda, Aoi Hatae, Yukie Sakai, Fred C. Boogerd, Hiroyuki Kurata
Summary: The Machine Learning-Aided Global Optimization (MLAGO) approach is proposed to solve the problems in parameter estimation for kinetic modeling. By combining machine learning-based K-m prediction and global optimization-based parameter estimation, MLAGO successfully estimates K-m values with reduced computational cost and achieves better understanding of complex cellular systems.
BMC BIOINFORMATICS
(2022)
Article
Energy & Fuels
Roberto Palos, Elena Rodriguez, Alazne Gutierrez, Javier Bilbao, Jose M. Arandes
Summary: The study has calculated the parameters of a 6-lump kinetic model for catalytic cracking of tire pyrolysis oil in industrial fluid catalytic cracking (FCC) conditions. The results show that heavy cycle oil (HCO) plays a significant role in conversion levels below 80%, while light cycle oil (LCO) and naphtha over-crack at higher conversion levels, leading to increased yields of LPG, dry gas, and coke.
Article
Computer Science, Software Engineering
Linas Stripinis, Remigijus Paulavicius
Summary: In this work, a new MATLAB toolbox called DIRECTGO is introduced for derivative-free global optimization. DIRECTGO includes various deterministic derivative-free DIRECT-type algorithms for different types of problems. Sequential algorithms are implemented using static and dynamic data structures for efficient information storage. Parallel schemes are also applied to optimize certain algorithms. The toolbox features a graphical user interface (GUI) for user-friendly use. Detailed computational studies and real-world problems demonstrate the capabilities of DIRECTGO.
ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE
(2022)
Article
Computer Science, Artificial Intelligence
Maha Nssibi, Ghaith Manita, Francis Faux, Ouajdi Korbaa, Elyes Lamine
Summary: This paper presents an enhanced optimization algorithm, ci-AVOA, which incorporates the Choquet Integral to address the complexity and interdependencies among variables in optimization problems.
ARTIFICIAL INTELLIGENCE REVIEW
(2023)
Article
Thermodynamics
Tenglong Lv, Minggao Xu, Wei He, Yifan Zhang, Wang Li, Shubao Song, Jiuzhong Yang, Long Zhao, Lixia Wei
Summary: An experimental and kinetic modeling investigation of the pyrolysis of chlorobenzene (PHICL) was conducted using a flow reactor and synchrotron vacuum ultraviolet photoionization mass spectrometry. Eighteen pyrolysis products were identified and quantified. A detailed kinetic model describing the PHICL pyrolysis process was developed and validated against experimental results. Sensitivity analysis revealed that the consumption of PHICL is most sensitive to the unimolecular decomposition reaction at 30 Torr and the H-abstraction reaction at 760 Torr. Mole distribution analysis and rate of production analysis indicated that PHICL tends to decompose via unimolecular decomposition reactions at 30 Torr, while recombination and ipso-addition reactions play critical roles in higher pressure conditions, leading to the formation of tricyclic chlorinated aromatic compounds.
COMBUSTION AND FLAME
(2023)
Article
Chemistry, Analytical
Michael Zeller, Krassimir Garbev, Luca Weigel, Tilman Saatzer, Daniela Merz, Salar Tavakkol, Dieter Stapf
Summary: The pyrolysis behavior and released products of four common polyurethanes (rigid foam, flexible foam, cast elastomer, and thermoplastic polyurethane) were investigated. The study found that each polyurethane undergoes a two-step degradation process, with a high correlation between the polymer structure and mass loss in each step. Additionally, variations in pyrolysis behavior and released products were observed among different polyurethane types.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Chemistry, Analytical
Laura Pires da Mata Costa, Amanda L. T. Brandao, Jose Carlos Pinto
Summary: Polystyrene chemical recycling via pyrolysis is an appropriate method for post-consumption material disposal. However, there is a lack of modeling studies on the degradation mechanism. This study developed a detailed mechanistic model to understand the kinetics of polystyrene degradation and validated the model through experimental data.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2022)
Article
Chemistry, Analytical
Sajjad Akbar Khan, Imtiaz Ali, Salman Raza Naqvi, Kai Li, M. Taqi Mehran, Asif Hussain Khoja, Abdulrahman Anwar Alarabi, A. E. Atabani
Summary: The bioenergy potential of microalgae Scednedesmus quadricuda through pyrolysis was investigated using kinetic and thermodynamic analyses. The results indicated a complex degradation process in the active pyrolysis zone, with two independent parallel reactions considered. The activation energies for low temperature and high temperature conversions were found to be 77.95 kJ/mol and 73.26 kJ/mol respectively, with thermodynamic analysis showing the feasibility of conversion.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2021)
Article
Thermodynamics
Mohammad Saleh Khodaparasti, Mohammad Reza Shirazvatan, Omid Tavakoli, Abbas Ali Khodadadi
Summary: Co-pyrolysis of microalgae Chlorella vulgaris and municipal sewage sludge was studied in a fixed-bed reactor to investigate the effects of temperature, mixing ratio, and Argon flow rate on pyrolysis products. The process was optimized using response surface methodology, and artificial neural network models were developed to simulate and predict pyrolysis yields. The study found that the mixing ratio had the most significant impact on bio-oil yield, while temperature had the highest influence on both biochar and biogas efficiency. The results demonstrate the potential for co-pyrolysis of microalgae and sewage sludge as a sustainable waste-to-energy conversion process.
ENERGY CONVERSION AND MANAGEMENT
(2022)
Article
Multidisciplinary Sciences
Ehsan Sarshari, Yasmine Boulanaache, Alexandre Terrier, Alain Farron, Philippe Mullhaupt, Dominique Pioletti
Summary: This study aims to improve the realism of a shoulder musculoskeletal model and develop scaling routines that can adjust the model's properties according to specific subjects. The effects of anthropometric parameters on glenohumeral joint reaction force predictions are evaluated, with results showing less than 13% difference compared to in vivo studies. The developed Matlab toolbox has the potential to assist in clinical decision-making regarding treatments for glenohumeral joint osteoarthritis.
SCIENTIFIC REPORTS
(2021)
Article
Computer Science, Information Systems
Zhu Wang, Jiaxun Liu, Dong Wang, Wei Wang
Summary: This paper investigates the distributed cooperative optimization problem with globally equality and inequality constraints for a multi-agent system, proposes two continuous-time algorithms, and proves that the algorithms converge to the optimal solution when the parameters of EL agents are known, and converge asymptotically to the optimal solution when the parameters of EL agents are unknown.
INFORMATION SCIENCES
(2021)
Article
Chemistry, Physical
Konstantinos Atsonios, Christos Samlis, Konstantina Manou, Aristeidis Nikolopoulos, Konstantinos Sfetsioris, Adamis Mitsotakis, Panagiotis Grammelis
Summary: This paper presents a novel polygeneration concept based on LNG fired plant for power, cooling, and drinking water production in island systems, comparing Solid Oxide Fuel Cell based energy systems with conventional combustion based technologies in terms of efficiency. The study reveals that the hybrid SOFC-GT plant offers the best energy efficiency, while heat recovery in a LT-MED unit is a promising option for drinking water production with minimal energy cost. Cryogenic energy storage via the production of liquid air is evaluated as the most efficient option for waste cold utilization during LNG regasification.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Engineering, Chemical
Aristeidis Nikolopoulos, Christos Samlis, Myrto Zeneli, Nikos Nikolopoulos, Sotirios Karellas, Panagiotis Grammelis
Summary: Particles tend to clog and aggregate under fluidization conditions, forming meso-scale structures that affect gas-solid transport phenomena. The use of an ANN-EMMS drag scheme in CFD modeling shows improved accuracy in predicting pressure drop and CO2 concentration compared to conventional methods.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Environmental Sciences
Norbert Kienzl, Nikolaos Margaritis, Rafail Isemin, Victor Zaychenko, Christoph Strasser, Dimitrios-Sotirios Kourkoumpas, Panagiotis Grammelis, Dmitry Klimov, Olga Larina, George Sytchev, Aleksandr Mikhalev
Summary: This study tested the feasibility of using torrefied sunflower husks as biofuel for heating applications, by producing pellets from husks and subjecting them to torrefaction to increase net calorific value and reduce the risk of high temperature corrosion of boilers. However, torrefaction did not address the issue of high aerosol emissions present in raw sunflower husk pellets.
WASTE AND BIOMASS VALORIZATION
(2021)
Article
Energy & Fuels
Petros Iliadis, Stefanos Ntomalis, Konstantinos Atsonios, Athanasios Nesiadis, Nikos Nikolopoulos, Panagiotis Grammelis
Summary: This study proposes a predictive battery energy storage system for geographical non-interconnected islands with high renewable energy penetration, utilizing machine learning methods and custom scheduling algorithms for load levelling. Economic investigations reveal the financial viability of the system in at least one case of geographical islands.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Review
Energy & Fuels
Panagiotis Grammelis, Nikolaos Margaritis, Petros Dallas, Dimitrios Rakopoulos, Georgios Mavrias
Summary: Approximately 3 billion tires are commercially transacted worldwide each year, with an equivalent amount disposed of. Despite efforts to increase tire life, the number of discarded tires is expected to rise due to the growing demand for vehicles globally. Around 70% of discarded tires are currently recovered for energy production or production of various materials, while approximately 95% of them can be reused.
Article
Thermodynamics
Spyridon Chapaloglou, Athanasios Nesiadis, Konstantinos Atsonios, Nikos Nikolopoulos, Panagiotis Grammelis, Angel Carrera, Oscar Camara
Summary: This study investigates a grid-connected microgrid system at a sport center facility in Barcelona, Spain, which includes solar PV, BESS, and heat pump installations. Two different energy management strategies are examined to optimize self-sufficiency and reduce electricity costs.
ENERGY CONVERSION AND MANAGEMENT
(2021)
Article
Thermodynamics
Panagiotis Stamatopoulos, Myrto Zeneli, Aristeidis Nikolopoulos, Alessandro Bellucci, Daniele M. Trucchi, Nikos Nikolopoulos
Summary: In recent years, innovative concepts of solid-state devices such as multi-junction solar cells and thermophotovoltaic converters have emerged as efficient means of direct electricity production. This work presents an in-house code based on the Drift Diffusion Model to simulate the performance of such devices, revealing that efficiency is highly influenced by various factors including device dimensions, doping levels, material type, and operating temperature. This model takes into account temperature and electromagnetic spectrum dependencies and can be extended to incorporate thermally stimulated electron emission and 2D spatial effects, providing a valuable tool for optimizing solid-state device performance.
ENERGY CONVERSION AND MANAGEMENT
(2021)
Article
Engineering, Chemical
D. E. Koutsonikolas, G. Pantoleontos, G. Karagiannakis, A. G. Konstandopoulos
Summary: This study utilized HybSi membranes modified by CVI to improve selectivity in hydrogen/carbon dioxide mixtures. Experimental results showed high hydrogen purity values could be achieved under various process conditions. The developed mathematical model can reliably predict hydrogen separation process performance and aid in optimization for process engineering purposes.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Agricultural Engineering
Panagiotis Basinas, Jiri Rusin, Katerina Chamradova, Katerina Malachova, Zuzana Rybkova, Cenek Novotny
Summary: The study found that pretreatment of corn silage with white rot fungi can promote methane production, but different fungal pretreatments have different effects. For typical corn silage, lignin depolymerisation contributes to methane generation, while extensive decomposition of hemicellulose in hybrid corn silage may lead to a less effective pretreatment for methane production.
BIORESOURCE TECHNOLOGY
(2022)
Article
Green & Sustainable Science & Technology
Grigorios Pantoleontos, Nikolaos Tsongidis, Emmanouil Daskalos, Athanasios G. Konstandopoulos
Summary: This study aims to establish a methodology for optimizing CO2 transportation networks by developing levelized-cost functions, determining optimal solar cities to receive CO2, and mapping routes to minimize transportation and utilization costs. The research suggests that transferring CO2 directly from original sources to final sinks is more economically beneficial, with potential significant implications on energy and environmental policies on a European or global scale.
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
(2021)
Article
Engineering, Environmental
Panagiotis Basinas, Jiri Rusin, Katerina Chamradova
Summary: High-solid anaerobic digestion of the very small particle fraction of mechanically-sorted organic fraction of municipal solid waste showed limited methane generation potential due to the non-biodegradable and recalcitrant molecules present. While the dry AD system demonstrated higher stability and methane production, the digestate presented low stability and high heavy metal content, requiring further treatment for use as soil conditioner or fertilizer.
Article
Energy & Fuels
Konstantina Peloriadi, Petros Iliadis, Panagiotis Boutikos, Konstantinos Atsonios, Panagiotis Grammelis, Aristeidis Nikolopoulos
Summary: Liquefied natural gas (LNG) is considered the cleanest fossil fuel and has lower environmental impact. This article presents a techno-economic assessment of an LNG-powered fuel cell system on the Greek island of Patmos. Preliminary results suggest that this system is a promising solution for non-interconnected Greek islands before achieving a CO2-free economy.
Article
Thermodynamics
Panagiotis Basinas, Jiri Rusin, Katerina Chamradova, Sotiris P. Kaldis
Summary: An experiment was conducted on industrial digestate to determine the effect of different temperatures on the production of biochar and its potential for improving soil productivity and enhancing anaerobic digestion efficiency. The digestate produced a higher proportion of biochar compared to biomass at all temperatures, with cellulose and hemicellulose being less thermally stable. The behavior and quantity of biochar generated from the digestate were unaffected by the heating rate, but the biochar yield decreased with increasing pyrolysis temperature. Biochar produced at 500 degrees Celsius showed the greatest potential for soil fertility improvement and was also the best anaerobic digestion agent due to its alkalinity, mineral content, and surface area.
ENERGY CONVERSION AND MANAGEMENT
(2023)
Review
Engineering, Chemical
Alessandro A. Carmona-Martinez, Alejandro Fresneda-Cruz, Asier Rueda, Olgu Birgi, Cosette Khawaja, Rainer Janssen, Bas Davidis, Patrick Reumerman, Martijn Vis, Emmanouil Karampinis, Panagiotis Grammelis, Clara Jarauta-Cordoba
Summary: This review categorizes the available renewable energy technologies and those to be developed by 2050 for the decarbonization of Energy Intensive Industries (EIIs). Electrification and renewable heat sources, such as concentrating solar power and geothermal energy, are key elements in this transition. Biomethane and green hydrogen are identified as essential for the decarbonization process. The analysis highlights the need for sector-specific renewable energy solutions and calls for discussions with decision makers to facilitate a rapid decarbonization of EIIs.
Review
Energy & Fuels
Nikolaos Detsios, Stella Theodoraki, Leda Maragoudaki, Konstantinos Atsonios, Panagiotis Grammelis, Nikolaos G. Orfanoudakis
Summary: The Paris Agreement's objectives require the aviation industry to reduce CO2 emissions by 50% by 2050 compared to 2005 levels. To achieve this, the production of sustainable aviation fuels (SAFs) is seen as the most promising strategy. This article provides a critical review and comparative analysis of alternative aviation fuels and pathways, considering technological, economic, and environmental factors. The impact of the 'ReFuelEU Aviation' initiative on current policies and market incentives is also assessed. The scale-up of SAF production and collaboration among aviation stakeholders are identified as immediate challenges.
Correction
Chemistry, Applied
Jia Liu, Juntong Dong, Xiaodan Li, Teng Xu, Zhenguo Li, Jeffrey Dankwa Ampah, Mubasher Ikram, Shihai Zhang, Chao Jin, Zhenlong Geng, Tianyun Sun, Haifeng Liu
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Seba Alareeqi, Daniel Bahamon, Kyriaki Polychronopoulou, Lourdes F. Vega
Summary: This study explores the potential application of single-atom-alloy (SAA) catalysts in bio-oils hydrodeoxygenation refining using density functional theory (DFT) and microkinetic modeling. It establishes the relationships between stability, adsorptive properties, and activity structures for bio-oil derivatives, providing guidance for the synthesis of cost-effective SAA combinations.
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Bin Hu, Wen -Ming Zhang, Xue-Wen Guo, Ji Liu, Xiao Yang, Qiang Lu
Summary: This study explored the pyrolysis behaviors and mechanisms of different monosaccharides, including arabinose, galactose, galacturonic acid, and glucuronic acid. The roles of structural differences in these monosaccharides were analyzed, and it was found that glucuronic acid undergoes a special C-C bond breaking reaction during pyrolysis. The findings provide a deep understanding of the pyrolysis chemistry of hemicellulose and the role of different branches.
FUEL PROCESSING TECHNOLOGY
(2024)
Review
Chemistry, Applied
Youwei Zhi, Donghai Xu, Guanyu Jiang, Wanpeng Yang, Zhilin Chen, Peigao Duan, Jie Zhang
Summary: Hydrothermal carbonization (HTC) is an effective method for the harmless disposal of municipal sludge (MS) and offers potential applications for the obtained products. Optimizing reaction conditions, coupling with other waste materials, and combining different processes can improve the performance of HTC. Furthermore, HTC contributes to energy recovery and enhances the quality of life cycle assessment.
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Jia Wang, Jianchun Jiang, Dongxian Li, Xianzhi Meng, Arthur J. Ragauskas
Summary: This study presents a scalable process for converting holocellulose and cellulosic wastes into advanced oxygen-containing biofuels with high furan, cyclic ketone, and ethanol content. By combining hydropyrolysis and vapor-phase hydrodeoxygenation using Pd/Al2O3 as a catalyst, the researchers achieved high yields and conversions. The integrated process holds great promise for biomass waste conversion into advanced biofuels.
FUEL PROCESSING TECHNOLOGY
(2024)
Article
Chemistry, Applied
Florian Held, Jannis Reusch, Steffen Salenbauch, Christian Hasse
Summary: The accurate prediction and assessment of soot emissions in internal combustion engines are crucial for the development of sustainable powertrains. This study presents a detailed quadrature-based method of moments (QMOM) soot model coupled with a state-of-the-art flow solver for the simulation of gasoline engines. The model accurately describes the entire cause-and-effect chain of soot formation, growth and oxidation. Experimental validation and engine cycle simulations are used to identify the root cause of observed soot formation hotspots.
FUEL PROCESSING TECHNOLOGY
(2024)
