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Design and optimization for industrial reactor and crude separation process via coupling mechanistic kinetics with heat/momentum transfers: Acetic acid hydrogenation to ethanol

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International Journal of Hydrogen Energy 2025年 130卷 462-479页

作者： Zhou, Can You, Chen-Xi Liu, Yang Shi, Hui Cui, Chengtian Tang, Jihai Cui, Mifen Qiao, Xu Xia, Ming State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical Engineering Nanjing Tech University Nanjing211816 China School of Chemistry and Molecular Engineering Nanjing Tech University Nanjing211816 China Nanjing211800 China Department of Chemical Engineering Delft University of Technology Van der Maasweg 9 Delft2629 HZ Netherlands Process and Systems Engineering Laboratory Faculty of Science and Engineering Åbo Akademi University Henrikinkatu 2 TurkuFI-20500 Finland

Ethanol is used to produce various value-added chemicals and as automobile fuel. Acetic acid hydrogenation to ethanol is of practical significance to meet the increasing market. However, limited engineering research for reactor and crude separation process for the acetic acid hydrogenation to ethanol despite the increasingly mature catalyst system. Moreover, the traditional approach of industrial reactor design mainly relies on point data and inadequately quantifies the strong coupling between reaction rate and transfers within the reactor, which is prone to local and loose design and optimization. In this work, a coupled design approach that combines kinetics with transfers is proposed for designing and optimizing the multi-tubular fixed-bed reactor for the acetic acid hydrogenation to ethanol. To efficiently achieve the products crude separation, staged cooling/flash/absorption/desorption units featuring with N-methyl-2-pyrrolidone as an absorbent is proposed, numerically designed and optimized. Further heuristic heat integration is also investigated to conserve extra energy of the preliminary process, which features that a by-product steam generated from ethanol synthesis reactor is utilized to drive the reboiler of the desorption. It is demonstrated that the heat-integrated process presents significant economic and emission advantages compared with the preliminary process, specifically with 36.5 % and 10.9 % reductions in operating cost and total annual cost respectively, as well as 58.1 % reductions in CO2 emissions. The cost of synthesizing ethanol with 100 ktpy production is as low as 14.25 $/t. This work could provide a feasible and promising reactor and crude separation process for acetic acid hydrogenation to ethanol, which features economic, high-efficient, energy-saving, and low-carbon. © 2025 Hydrogen Energy Publications LLC

关键词： Reaction rates

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Electrified distillation – Optimized design of closed cycle heat pumps with refrigerant selection and flash-enhanced mechanical vapor recompression

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Applied Thermal engineering 2025年 273卷

作者： Adami, Momme Schnurr, Jonas Skiborowski, Mirko Hamburg University of Technology Institute of Process Systems Engineering Am Schwarzenberg-Campus 4 Hamburg21073 Germany Hamburg Germany

Improving the energy efficiency of distillation processes is crucial for reducing the high energy demand and environmental impact of the chemical industry. Compression heat pumps play a significant role in this transformation as they are able to upgrade and recover heat rejected at low temperatures, reducing the need for external heat sources and simultaneously enable process electrification. Mechanical vapor recompression is the most prominent heat pump concept in distillation but limited by its reliance on process streams, which can lead to high external heat demand, or even inapplicability of the concept due to thermal instability or mechanical compressor limitations. Closed cycle heat pumps are less explored, since they require an extra heat exchanger and increased temperature lift compared to mechanical vapor recompression. However, they can overcome some of the limitations by allowing for unrestricted selection of the most attractive refrigerant, which may outplay the structural disadvantages. The current study presents a novel design approach for rapid heat pump evaluation, applicable to any subcritical refrigerant solely based on temperature levels and duties. A two-step approach enables the identification of the best-performing refrigerant from a set of suitable candidates for a given distillation process, considering practical constraints such as the need for superheating to avoid condensation, as well as limits for the compressor discharge temperature and compression ratios. The most promising refrigerant and heat pump configuration is further evaluated by a techno-economical optimization based on a superstructure model for which the performance is compared with a novel mechanical vapor recompression design utilizing a vapor recycle and internal preheating. The optimization results not only showcase fully electrified distillation for all heat pump-assisted processes but also highlight that closed cycle heat pumps with proper refrigerant selection can prov

关键词： Chemical industry

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Synthesis of interfacial electric field-enhanced CdS/CdxZn1-xS/ZnO ternary heterojunction by lye dissolution etching mechanism for photocatalytic H2 production and CO2 reduction

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材料科学技术（英文版） 2025年第1期204卷 152-165页

作者： Qi Li Shengchao Yang Yufan Huang Yuwei Liang Chunling Hu Min Wang Zhiyong Liu Yanlong Tai Jichang Liu Yongsheng Li School of Chemistry and Chemical Engineering Shihezi University/Key Laboratory of Green Process for Chemical Engineering/Key Laboratory for Chemical Materials of Xinjiang Uygur Autonomous Region/Engineering Center for Chemical Materials of Xinjiang BingtuanShihezi UniversityShihezi 832003China Shanghai Institute of Ceramics Chinese Academy of SciencesShanghai 200050China School of Chemistry and Chemical Engineering Shihezi University/Key Laboratory of Green Process for Chemical Engineering/Key Laboratory for Chemical Materials of Xinjiang Uygur Autonomous Region/Engineering Center for Chemical Materials of Xinjiang BingtuanShihezi UniversityShihezi 832003China Key Laboratory of Human-Machine Intelligence-Synergy Systems of Chinese Academy of Sciences(CAS) Shenzhen Institutes of Advanced TechnologyShenzhen 518055China School of Chemistry and Chemical Engineering Shihezi University/Key Laboratory of Green Process for Chemical Engineering/Key Laboratory for Chemical Materials of Xinjiang Uygur Autonomous Region/Engineering Center for Chemical Materials of Xinjiang BingtuanShihezi UniversityShihezi 832003China Lab of Low-Dimensional Materials Chemistry Key Laboratory for Ultrafine Materials of Ministry of Education School of Materials Science and Engineering East China University of Science and Technology ShanghaiShanghai 200237China

The difficulty in fabricating a multifaceted composite heterojunction system based on CdxZn1-xS limits the enhancement of photocatalytic *** the present scrutiny,novel ZnO/CdxZn1-xS/CdS com-posite heterojunctions are successfully prepared by the alkaline dissolution etching *** internal electric field at the interface of Ⅰ-type and Z-scheme heterojunction improved the effective charge *** ZC 8 sample exhibits excellent photocatalytic performance and the H2 production efficiency is 15.67 mmol g-1 h-1 with good stability up to 82.9％in 24-hour *** performance of CH4 and CO capacity in the CO2RR process is 3.47 μmol g-1 h-1 and 23.5 μmol g-1 h-1,*** photogener-ated accelerated charge transport is then examined in detail by in situ X-ray photoelectron spectroscopy(ISXPS)and density functional theory(DFT)*** work presents a new idea for the synthe-sis of CdxZni-xS solid-solution-based materials and provides a solid reference for the detailed mechanism regarding the electric field at the heterojunction interface.

关键词： Photocatalysis Interface electric field Composite heterostructure Photocatalytic mechanism CdxZn1-xS solid-solution

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Dynamic Self-Triggered control for Nonzero-Sum Games of Unknown Nonlinear Constrained systems via Generalized Fuzzy Hyperbolic Models

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IEEE Transactions on systems, Man, and Cybernetics: systems 2025年第5期55卷 3506-3518页

作者： Liu, Fan Su, Hanguang Zhang, Huaguang Luo, Biao Wang, Jiawei Northeastern University School of Information Science and Engineering Shenyang110004 China Northeastern University School of Information Science and Engineering State Key Laboratory of Synthetical Automation for Process Industries Shenyang110004 China Central South University School of Automation Changsha410083 China Northeastern University National Frontiers Science Center for Industrial Intelligence and Systems Optimization Shenyang110819 China

In this article, a novel adaptive dynamic programming algorithm is devised to handle the multiplayer nonzero-sum (NZS) games of completely unknown nonlinear systems, subject to state and input constraints under the dynamic self-triggered mechanism. Initially, in order to eliminate the demand for system dynamics, a generalized fuzzy hyperbolic model based identifier is established, which only relies on input-output data. Then, the equivalent transformation of the reconstructed system is implemented by virtue of barrier functions. With the aid of the nonquadratic utility function, the Hamilton-Jacobi equation of the NZS game is derived. After that, an adaptive critic scheme with experience replay is employed to acquire the Nash equilibrium solution. Furthermore, a novel dynamic self-triggered rule is proposed with the dead-zone operation, which not only significantly reduces source consumption but also overcomes the implementation difficulty of monitoring hardware in the event-triggered mechanism. Moreover, the stability of the system and the uniform ultimate boundedness of the critic weights are guaranteed. Ultimately, two simulation examples are given to validate the feasibility of the developed method. © 2025 IEEE.

关键词： Adaptive algorithms

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Cross-Subject Depression Level Classification Using EEG Signals with a Sample Confidence Method

arXiv

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arXiv 2025年

作者： Zhang, Zhong-Yi Xu, Chen-Yang Zhao, Li-Xuan Hou, Hui-Rang Meng, Qing-Hao Tianjin Key Laboratory of Process Measurement and Control Institute of Robotics and Autonomous Systems School of Electrical and Information Engineering Tianjin University Tianjin300072 China

Electroencephalogram (EEG) is a non-invasive tool for real-time neural monitoring, widely used in depression detection via deep learning. However, existing models primarily focus on binary classification (depression/normal), lacking granularity for severity assessment. To address this, we proposed the DepL-GCN, i.e., Depression Level classification based on GCN model. This model tackles two key challenges: (1) subjectivity in depression-level labeling due to patient self-report biases, and (2) class imbalance across severity categories. Inspired by the model learning patterns, we introduced two novel modules: the sample confidence module and the minority sample penalty module. The former leverages the L2-norm of prediction errors to progressively filter EEG samples with weak label alignment during training, thereby reducing the impact of subjectivity;the latter automatically upweights misclassified minority-class samples to address imbalance issues. After testing on two public EEG datasets, DepL-GCN achieved accuracies of 81.13% and 81.36% for multi-class severity recognition, outperforming baseline models. Ablation studies confirmed both modules’ contributions. We further discussed the strengths and limitations of regression-based models for depression-level recognition. Copyright © 2025, The Authors. All rights reserved.

关键词： Electroencephalography

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Distributing Chemical Reactions between Cell Populations: Exemplar Studies

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Computers and Chemical engineering 2025年 200卷

作者： Sekhri, Sameer Haritas, Chinmay K. Krishnan, J. Department of Chemical Engineering Sargent Centre for Process Systems Engineering Imperial College London

The distribution of chemical reactions between different reactors or reaction compartments is foundational to chemical reaction engineering. It is also of relevance to both systems and synthetic biology. In this study we examine sample reaction systems distributed between two cell populations which have significant interactions between each other. We examine two scenarios motivated by specific studies in the experimental synthetic biology literature, one which involves a sequential distribution of reactions/components and one which involves a parallel distribution. We develop a modelling and systems framework to assess the overall production rate of product and how it depends on various parameters: intrinsic kinetic parameters, as well as cell population growth/death/interaction parameters. We use computational, analytical and semi-analytical methods to analyse the associated model and isolate insights both structural and parameter dependent qualitative insights. We then expand the modelling framework to assess the potential effect of external resources on systems behaviour. Overall, our analysis reveals how significant nonlinear interactions between cells and across levels has a profound effect on the distribution of chemical reactions. © 2025 The Author(s)

关键词： Reaction kinetics

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engineering of Fe d-band center in Fe_(3)O_(4)/CeO_(2)hetero-nanoparticles via orbital coupling for high-efficiency oxygen reduction electrocatalysis

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Nano Research 2025年第1期18卷 129-139页

作者： Jiayi Liu Jingwen Yin Yingzi Lin Mingxin Pang Huan Pang Songtao Zhang Lin Xu Jun Yang Yawen Tang Jiangsu Key Laboratory of New Power Batteries Jiangsu Collaborative Innovation Center of Biomedical Functional MaterialsSchool of Chemistry and Materials ScienceNanjing Normal UniversityNanjing 210023Chin a 2 State Key Laboratory of Multiphase Complex Systems Center of MesoscienceInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou 225009China Testing Center Yangzhou UniversityYangzhou 225009China

The deliberate engineering of the d-band center of metal site represents an effective strategy to boost the intrinsic electrocatalytic performance toward the oxygen reduction reaction(ORR).Herein,following a heterointerfaceinduced orbital coupling rationale,we report a judicious design of an efficient ORR electrocatalyst consisting of Fe_(3)O_(4)/CeO_(2)hetero-nanoparticles in-situ encased into N-doped carbon nanofibers(abbreviated as Fe_(3)O_(4)/CeO_(2)@N-CNFs hereafter).The theoretic calculations uncover that the Fe_(3)O_(4)/CeO_(2)heterointerface-triggered orbital coupling can cause the down shift of the d-band center positions of Fe sites,which leads to the weakened chemisorption of oxygenated groups and lowered energy barrier for the potential-determining step,ultimately dramatically boosting the ORR intrinsic *** a consequence,the well-designed Fe_(3)O_(4)/CeO_(2)@N-CNFs display admirable ORR activity with a half-wave potential of 0.84 V and outstanding structural/electrochemical stability in an alkaline electrolyte,surpassing the commercial Pt/C benchmark and a majority of recently reported Fe_(3)O_(4)-based *** encouragingly,the Fe_(3)O_(4)/CeO_(2)@N-CNFsincorporated Zn-air battery outperforms the Pt/C-assembled counterpart with higher power density,larger energy density,and excellent cycling stability,serving as a competent candidate for ORR-involved renewable energy *** study offers an innovative approach for the rational manipulation of the d-band center and interfacial electron behavior of active sites toward the optimization of electrocatalytic performance.

关键词： hetero-nanoparticles electrospinning interfacial engineering orbital coupling oxygen reduction reaction

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Impact of tool wear and fiber orientation on CFRP surface integrity: An experimental study with pre-wear PCD tools 3

Impact of tool wear and fiber orientation on CFRP surface in...

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3rd CIRP Conference on Composite Material Parts Manufacturing, CCMPM 2024

作者： Li, Jiongqi Wang, Chenglong Qiu, Ziyi Lin, Zhiwei Fu, Jianzhong State Key Laboratory of Fluid Power and Mechatronic Systems College of Mechanical Engineering Zhejiang University Hangzhou310027 China Key Laboratory of 3D Printing Process and Equipment of Zhejiang Province College of Mechanical Engineering Zhejiang University Hangzhou310027 China

The machining of Carbon Fiber Reinforced Polymers (CFRP) presents substantial challenges in preserving surface integrity due to the material's pronounced anisotropy, high stiffness, and low thermal conductivity. These characteristics lead to significant tool wear, considerable thermal damage, and pronounced surface defects during the machining process. To assess the machining performance of Polycrystalline Diamond (PCD) tools under different wear conditions and fiber orientations, this article introduces an experimental study on the milling of T700 / epoxy CFRP components using pre-wear PCD tools. The CFRP workpieces were specially designed in a gear shape to minimize tool wear progression and facilitate subsequent measurements. The results, observed using a Scanning Electron Microscope (SEM), indicated variations in surface integrity related to tool wear progression. At zero Fiber Cutting Angles (FCAs), worn tool causes severer matrix peel up from the fiber. At acute FCAs, slightly worn tools produced a better surface finish than fresh tools due to matrix smearing, whereas severely worn tools resulted in chip adhesion and degraded surface quality. Down milling achieved greater surface integrity than up milling. Additionally, surface integrity was found more critical at low feed rates with severely worn tool. At obtuse FCAs, surface integrity was highly dependent on the feeding orientation, and was sensitive to tool wear. Up milling produced saw-tooth surface cavities at 150°FCA, while down milling showed significant cracks at 120° and 150°FCAs. The cutting force was more sensitive to tool wear progression at 30°, 60° and 90°FCAs, and less sensitive at 120° and 150°FCAs. Additionally, cutting forces were higher in up milling than in down milling, especially as tool wear progressed. These findings provide valuable insights for further research on optimizing CFRP machining processes to reduce tool wear and enhance component quality. © 2025 The Author(s).

关键词： Carbon fiber reinforced plastics

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Announcing the 2026 ACS Photonics Young Investigator Lectureship Award Winner

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ACS Photonics 2025年第5期12卷 2260-2261页

作者： Quidant, Romain Department of Mechanical and Process Engineering Nanophotonic Systems Laboratory ETH Zurich Leonhardstrasse 21 LEE P 207 Zurich8092 Switzerland

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Historical Attack-Intensity-Based Event-Triggered Platoon control of Connected Vehicles Under Actuator Failures and DoS Attacks

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IEEE Transactions on Vehicular Technology 2025年第5期74卷 8052-8062页

作者： Lin, Huichao Dong, Jiuxiang Park, Ju H. Liaoning Province Key Laboratory of Safe Operation Technique for Autonomous Unmanned Systems College of Information Science and Engineering Shenyang110819 China Northeastern University State Key Laboratory of Synthetical Automation of Process Industries Shenyang110819 China Yeungnam University Department of Electrical Engineering Kyongsan38541 Korea Republic of

This paper considers the event-triggered (ET) platoon control of connected vehicles in the presence of actuator failures and DoS attacks. First, a historical attack-intensity-based ET mechanism is proposed to optimize communication resources. Compared with the existing event trigger mechanism, this mechanism utilizes not only the state error information but also historical attack intensity data to dynamically adjust the trigger threshold, which further conserves communication resources and enhances design flexibility in the case of DoS attacks. Next, a security platoon control scheme is designed to resist actuator faults and DoS attacks, and a delay switched system model is introduced to describe the vehicle platoon tracking error system. Then, a novel Lyapunov functional is developed and combined with switching techniques to establish sufficient conditions for the exponential stability of the tracking error system. Additionally, a co-design method of controller gain and event trigger parameters is proposed. Finally, simulation examples validate the superiority of the proposed historical attack-intensity-based ET platooning control scheme. © 1967-2012 IEEE.

关键词： Lyapunov functions

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