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COSMO-RS screening of organic mixtures for membrane extraction of aromatic amines: TOPO-based mixtures as promising solvents

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Green Chemical engineering 2025年第02期6卷 263-274页

作者： Gilles Van Eygen Catherine Echezuria Anita Buekenhoudt Jo?o A.P.Coutinho Bart Van der Bruggen Patricia Luis Process Engineering for Sustainable Systems (ProcESS) Materials & Process Engineering (IMAP) Université catholique de Louvain Unit Separation and Conversion Technology Vlaamse Instelling voor Technologisch Onderzoek (VITO NV) CICECO-Aveiro Institute of Materials Chemistry DepartmentUniversity of Aveiro Research & Innovation Centre for Process Engineering (ReCIPE)

Aromatic amines are crucial in pharmaceuticals, but their synthesis is challenging due to unfavorable reaction equilibria and the use of costly, environmentally unfriendly methods. This study presents a membrane extraction（ME） process for rn srtu product removal（ISPR） of aromatic amines. Using a supported liquid membrane（SLM）,α-methylbenzylamine（MBA） and 1-methyl-3-phenylpropylamine（MPPA） were separated from isopropyl amine（IPA）. Conductor-like Screening Model for Real Solvents（COSMO-RS） was employed to screen over 200 organic mixtures, identifying twelve mixtures based on trioctylphosphine oxide（TOPO）, lidocaine, and menthol as solvent candidates, due to their hydrophobicity. These mixtures were analysed for critical solvent properties including density, viscosity, hydrophobicity, and H-bonding interactions. ME tests showed TOPO-thymol had the highest solvent residual and selectivity. Moreover, TOPO-thymol demonstrated solute fluxes of 9.0±3.0 g/（m2h） for MBA, 16.5±5.4 g/（m2h） for MPPA, and 0.7±0.3 g/（m2h） for IPA, with selectivity values of 12.4±0.8 for MBA/IPA and 22.8±1.4 for MPPA/IPA. Compared to undecane, which had lower selectivity values of 6.9±0.8 for MBA/IPA and 10.1±1.3 for MPPA/IPA, TOPO-thymol showed superior selectivity, indicating its promise as an extractant for ME applications.

关键词： Aromatic amines Membrane extraction COSMO-RS Supported liquid membranes TOPO-based solvents

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Optimization of batch cooling crystallization systems considering crystal growth,nucleation and *** I:Simulation

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Particuology 2025年第1期96卷 84-96页

作者： Qilei Xu Bin Lian Yan Long Baoming Shan Xuezhong Wang Fangkun Zhang College of Automation and Electronic Engineering Qingdao University of Science&TechnologyQingdao266061China School of Chemical and Process Engineering University of LeedsLeedsLS29JTUnited Kingdom Centre for Pharmaceutical and Crystallization Process Systems Engineering School of Chemical EngineeringBeijing Institute of Petrochemical TechnologyBeijing102617China

Optimal control of batch crystallization systems is still a focus and hot topic in the field of industrial crystallization, which seriously affects the consistency of batch product quality. In this paper, a new method with a new objective function and improved optimization algorithm was proposed for optimization of crystal size distribution (CSD) in case of fine crystals occurrence. The new objective function was developed with better margin metric and weighting technique to minimize fine crystal mass, meanwhile, a newly constructed sinusoidal weight function was introduced to improve the particle swarm optimization (PSO) algorithm. A precise control of CSD with suppressed numerical discrepancy caused by fine crystals removal was developed by combining seed recipe and temperature-swing. In addition, the effects of temperature curve segments on CSD during process optimization were systematically investigated to achieve optimal results. Two typical batch cooling crystallization systems were used to verify the effectiveness of the proposed method in controlling product CSD while minimizing fine crystal mass. Results demonstrated that the desired product CSD can be achieved with minor errors while the fine crystals could be shrunk to be negligible, i.e., the fine crystal mass and number can be reduced by over 90%. This work has an important guiding significance for the removal of fine crystals in industrial crystallization processes, especially when only operational optimization rather than equipment updating is considered.

关键词： Crystal size distribution Optimization Objective function Fine crystals removal Batch crystallization

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A brief review of preparation and applications of monolithic aerogels in atmospheric environmental purification

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Journal of Environmental Sciences 2025年第3期149卷 209-220页

作者： Linfeng Nie Shuangde Li Mengjie Cao Ning Han Yunfa Chen State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China Key Laboratory of Science&Technology on Particle Materials Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

Monolithic aerogels are promising candidates for use in atmospheric environmental purification due to their structural advantages,such as fine building block size together with high specific surface area,abundant pore structure,***,monolithic aerogels possess a unique monolithic macrostructure that sets them apart from aerogel powders and nanoparticles in practical environmental clean-up *** review delves into the available synthesis strategies and atmospheric environmental applications of monolithic aerogels,covering types of monolithic aerogels including SiO_(2),graphene,metal oxides and their combinations,along with their preparation *** particular,recent developments for VOC adsorption,CO_(2)capture,catalytic oxidation of VOCs and catalytic reduction of CO_(2)are ***,challenges and future opportunities for monolithic aerogels in the atmospheric environmental purification field are *** reviewprovides valuable insights for designing and utilizing monolithic aerogel-based functional materials.

关键词： Monolithic aerogel Environmental purification Catalysis Adsorption

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Observer-based stabilization for discrete nonlinear semi-Markov jump singularly perturbed models with mode-switching delay

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Science China(Information Sciences) 2025年第4期68卷 389-390页

作者： Wenhai QI Runkun LI Ju H.PARK Zheng-Guang WU Huaicheng YAN School of Engineering Qufu Normal University Department of Electrical Engineering Yeungnam University Institute of Cyber-Systems and Control Zhejiang University Key Laboratory of Smart Manufacturing in Energy Chemical Process of Ministry of Education East China University of Science and Technology

Semi-Markov jump systems(S-MJMs) not only characterize hybrid systems but also address the limitations of Markov jump systems(MJMs) [1–3]. Due to their ability to exhibit multi-time-scale features, singularly perturbed models(SPMs) effectively model practical systems influenced by multiple time-scale phenomena [4]. In this study, the observer-based output feedback controller is asynchronous with the original system due to the time delay in the controller mode switching. A nonlinear plant with singularly perturbed parameters(SPPs) is represented using an interval type-2(IT2) fuzzy model [5].

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Formation control and path planning of multi-robot systems via large language models

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Science China(Information Sciences) 2025年第5期68卷 72-88页

作者： Dong XUE Xuanjie ZHOU Ming WANG Fangzhou LIU Key Laboratory of Smart Manufacturing in Energy Chemical Process Ministry of EducationEast China University of Science and Technology Research Institute of Intelligent Control and Systems School of Astronautics Harbin Institute of Technology

Existing path planning and coordination control methods for multi-robot systems(MRS) typically rely on predefined rules and rudimentary algorithms. However, these methods often struggle to adapt flexibly to complex environments and to adjust motion targets appropriately. To address this challenge, this study presents a large language model(LLM)-assisted framework. By integrating textual descriptions of complex motion constraints, robot information, and local environmental data as inputs, LLMs generate motion objectives and translate them into executable control commands for the robots, thereby achieving coordinated control and path planning. This framework facilitates the generation, maintenance, and reshaping of formations in MRSs during path planning, applicable to both obstacle-free and obstacle-avoidance environments. Simulation results demonstrate that LLM-based control strategies enhance the autonomy, adaptability, flexibility, and robustness of MRS by processing complex information, making intelligent decisions, adapting to environmental changes, and handling disturbances and uncertainties.

关键词： multi-robot systems formation control path planning obstacle avoidance large language models

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Single-Electrode Electrostatic Repulsion Phenomenon for Remote Actuation and Manipulation

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Research 2025年第1期2024卷 333-345页

作者： Wei Tang Dong Yan Kecheng Qin Xinyu Guo Yiding Zhong Huxiu Xu Huayong Yang Jun Zou State Key Laboratory of Fluid Power and Mechatronic Systems Zhejiang UniversityHangzhouChina School of Mechanical Engineering Zhejiang UniversityHangzhouChina Institute of Process Equipment College of Energy EngineeringZhejiang UniversityHangzhouChina

One of the fundamental principles of electrostatics is that an uncharged object will be attracted to a charged object through electrostatic induction as the two approaches one *** refer to the charged object as a single electrode and examine the scenario where a positive voltage is *** of electrostatic induction phenomenon,single-electrode electrostatics only generates electrostatic attraction ***,we discover that single-electrode electrostatics can generate electrostatic repulsion forces and define this new phenomenon as single-electrode electrostatic repulsion *** investigate the fundamental electrostatic phenomena,giving a curve of electrostatic force versus voltage and then defining 3 *** actuation and manipulation are essential technologies that are of enormous concern,with tweezers playing an important *** tweezers designed on the basis of external fields of optics,acoustics,and magnetism can be used for remote actuation and manipulation,but some inherent drawbacks still *** would benefit greatly from our discovery in *** the basis of this discovery,we propose the concept of electrostatic tweezers,which can achieve noncontact and remote actuation and *** characterizations and successful applications in metamaterials,robots,and manipulating objects demonstrated that electrostatic tweezers can produce large deformation rates(>6,000%),fast actuation(>100 Hz),and remote manipulating distance(~15 cm)and have the advantages of simple device structure,easy control,lightweight,no dielectric breakdown,and low *** work may deepen people's understanding of single-electrode electrostatics and opens new opportunities for remote actuation and manipulation.

关键词： electrostatic induction remote actuation single electrode single electrode electrostatics charged object electrostatic repulsion

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Boosting electrochemical reduction of CO_(2)to CO using molecule-regulated Ag nanoparticle in ionic liquids

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Green Energy & Environment 2025年第4期10卷 813-820页

作者： Fangfang Li Kuilin Peng Chongyang Jiang Shaojuan Zeng Xiangping Zhang Xiaoyan Ji Energy Engineering Division of Energy ScienceLuleåUniversity of TechnologyLuleå97187Sweden Beijing Key Laboratory of Ionic Liquids Clean Process State Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijing100190China College of Chemical Engineering and Environment China University of PetroleumBeijing102249China

Electrochemical reduction of CO_(2)is a promising approach to convert CO_(2)to high-valued chemicals and ***,developing efficient electrocatalysts featuring desirable activity and selectivity is still a big *** this work,a strategy of introducing functionalized molecules with desirable CO_(2)affinity to regulate Ag catalyst for promoting electrochemical reduction of CO_(2)was ***,3-mercapto-1,2,4-triazole was introduced onto the Ag nanoparticle(Ag-m-Triz)for the first time to achieve selectively converting CO_(2)to carbon monoxide(CO).This Ag-m-Triz exhibits excellent performance for CO_(2)reduction with a high CO Faradaic efficiency(FECO)of 99.2%and CO partial current density of 85.0 mA cm^(-2)at-2.3 V ***/Agt in H-cell when combined with the ionic liquid-based electrolyte,30 wt%1-butyl-3-methylimidazolium hexafluorophosphate([Bmim][PF6])-65 wt%acetonitrile(AcN)-5 wt%H2O,which is 2.5-fold higher than the current density in Ag-powder under the same *** studies confirm that the significantly improved performance of Ag-m-Triz originates from(i)the stronger adsorption ability of CO_(2)molecule and(ii)the weaker binding energy to form the COOH*intermediate on the surface of Ag-m-Triz compared with the Ag-powder catalyst,which boosts the conversion of CO_(2)to *** research provides a facile way to regulate electrocatalysts for efficient CO_(2)reduction by introducing functionalized molecules.

关键词： CO_(2)reduction CO Electrochemical Molecule-regulated Silver Ionic liquid

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Synthesis ofδ-MnO_(2)via ozonation routine for low temperature formaldehyde removal

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Journal of Environmental Sciences 2025年第1期147卷 642-651页

作者： Guijun Fan Yacong Guo Shaohua Chai Le Zhang Jian Guan Guojun Ma Ning Han Yunfa Chen State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China College of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China Key Laboratory of Science and Technology on Particle Materials Institute of Process EngineeringChinese Academy of SciencesBeijing 361021China Key Laboratory for Mechanics in Fluid Solid Coupling Systems Institute of MechanicsChinese Academy of SciencesBeijing 100190China School of Petrochemical Engineering&Environment Zhejiang Ocean UniversityZhoushan 316022China

Nowadays,it is still a challenge to prepared high efficiency and low cost formaldehyde(HCHO)removal catalysts in order to tackle the long-living indoor air ***,δ-MnO_(2)is successfully synthesized by a facile ozonation strategy,where Mn^(2+)is oxidized by ozone(O_(3))bubble in an alkaline *** presents one of the best catalytic properties with a low 100%conversion temperature of 85℃for 50 ppm of HCHO under a GHSV of 48,000 mL/(g·hr).As a comparison,more than 6 times far longer oxidation time is needed if O3 is replaced by O_(2).Characterizations show that ozonation process generates a different intermediate of tetragonalβ-HMnO_(2),which would favor the quick transformation into the final productδ-MnO_(2),as compared with the relatively more thermodynamically stable monoclinicγ-HMnO_(2)in the O_(2)***,HCHO is found to be decomposed into CO_(2)via formate,dioxymethylene and carbonate species as identified by room temperature insitu diffuse reflectance infrared fourier transform *** these results show great potency of this facile ozonation routine for the highly activeδ-MnO_(2)synthesis in order to remove the HCHO contamination.

关键词： δ-MnO_(2) Ozone oxidation HCHO oxidation In-situ DRIFTS

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Computational study of the effect of friction coefficients and particle shape on the repose angle and porosity of sinter piles

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Particuology 2025年第3期98卷 231-240页

作者： Meng Li Yaowei Yu Henrik Saxén Process and Systems Engineering Laboratory Faculty of Science and EngineeringÅbo Akademi University20500TurkuFinland State Key Laboratory of Advanced Special Steel Shanghai Key Laboratory of Advanced FerrometallurgySchool of Materials Science and EngineeringShanghai University200444ShanghaiChina

Shape has an undeniable impact on particle behaviour,and the shapes of naturally occurring granular matter are typically *** studies of irregularly shaped particles are challenging but necessary to gain a better understanding of the flow of particulate *** study focuses on the behaviour of irregular sinter particles and applies the discrete element method to examine the effects of static and rolling friction coefficients and particle shape on the angle of repose and porosity of sinter piles.A three-dimensional model of an irregular sinter particle reconstructed by close-range photogrammetry served as the template for generating multi-sphere particles with varying numbers of sub-spheres(1,3,7,22,and 135)and sphericity ranging from 1 to *** of particle piles were conducted for a range of values of the coefficients of static and rolling *** results indicate that the angle of repose increases with static friction and also increases with rolling friction coefficient when it is lower than the static *** angle of repose shows clear dependence on particle shape,particularly for lower rolling friction *** friction coefficients for particles of five different shapes were individually determined through bulk calibration,and irregularly shaped particles in DEM were found to require lower friction *** was marginally affected by the static and rolling friction coefficients for spherical particles,while non-spherical particles showed porosity increasing with the rolling friction *** relationship between particle sphericity and porosity was nonlinear:as sphericity decreases from 1.00 to 0.69,the porosity first decreases to a minimum and then *** findings confirmed that both friction and particle shape have a significant influence on the structure of sinter piles,with implications for material handling and processing in industrial applications.

关键词： Sinter Discrete element method Friction coefficients Particle shape Repose angle Porosity

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Modeling and Simulation of Sand Particle Trajectories and Erosion in a Transonic Fan Stage

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Journal of Turbomachinery 2025年第7期147卷 071012页

作者： Ghenaiet, Adel Laboratory of Energy Conversion Systems Faculty of Mechanical Engineering and Process Engineering University of Science and Technology Houari Boumediene BP32 El-Alia Bab Ezzouar Algiers16111 Algeria

In desert regions, there is a significant presence of dust and sand particles lifted by storms and drawn into aircraft engines, resulting in considerable erosion. This numerical study investigates the dynamics of sand particles affecting the front components of a high-bypass turbofan engine (HBTFE). The components under consideration include a Pitot intake, a spinner, a fan rotor, inlet guide vanes (IGVs), and outlet guide vanes (OGVs). This research focuses on the engine’s operating conditions during takeoff from a Saharan airfield. The flow field is solved separately, and the data are transferred to an in-house particle trajectory code based on the Lagrangian model. The finite element method (FEM) is used to track sand particles as they move through the mesh cells, facilitating an accurate assessment of impacts and conditions necessary for calculating erosion rates. The results obtained indicate that a significant number of sand particles frequently impact the rotor blade, from the hub to approximately 80% of its span, due to deflection by the Pitot intake lip and outer contour. The pressure side (PS) of the rotor blade experiences severe erosion, with the highest erosion rates occurring at the leading edge (LE) and toward the trailing edge (TE). At the exit of the rotor, a substantial amount of particles flows through the OGVs and erode the PS, while fewer particles from the lower sections of the fan blade pass via the IGVs to the engine’s core. These findings highlight erosion-prone regions that require special protective coatings. Copyright © 2024 by ASME.

关键词： Turbomachine blades

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