Gao Feiyu, Sun Pengyu, Du Shiao, Jin Youcai, Xue Jimin, Chen Wei
Vol. 91, Issue 3, Pages: 1-12(2026)
Published(online):2026-06-15
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Wood, as a widely available renewable resource, was extensively used in many fields. Utilizing its abundant hydroxyl groups of surface and unique hierarchical pore structure, N-methyl-d-glucosamine (NMDG), a functional monomer with unique chelation properties towards boric acid/borate, was grafted onto its surface after modification, successfully preparing the NMDG-modified wood-based functional material (Wood-NMDG). When this material was applied for boron adsorption in aqueous, research found that both solution pH and boron concentration significantly affected its adsorption performance. Studies on its adsorption kinetics, adsorption isotherms and thermodynamics revealed that the material possessed excellent adsorption capacity and rapid adsorption kinetics. After adsorption with salt lake brine, it demonstrated outstanding specificity and selectivity. Dynamic adsorption studies using simulated seawater yielded a breakthrough time of 42 h. Based on the World Health Organization standard for boron concentration in drinking water, its capacity for treating seawater into drinking water reached 2520 L·kg- 1. However, cycling experiments indicated a certain degree of decrease in the adsorption properties of the material. Nevertheless, considering the abundant availability, low cost, and ease of modification of wood as a raw material, Wood-NMDG held broad application prospects as an efficient removal agent for seawater desalination, drinking water production and irrigation water treatment.
Liu Yiping, Qiu Weixiang, Mo Yalan, Zhang Zhaoyang, Tian Jing, Yang Xinpeng, Hu Xinjun, Xiao Caisheng, Li Xiaogang
Vol. 91, Issue 3, Pages: 13-25(2026)
Published(online):2026-06-15
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With the demand for natural polymers, cellulose nanocrystal (CNC)-based Pickering emulsion systems (PE) have been introduced in agricultural control due to their high stability. Surfactants further reduce surface tension and enhance the spreading and deposition of pesticide formulations. In controlling bacterial canker in kiwifruit, conventional formulations often exhibit high-resistance, but poor spreading, and deposition, resulting in unsatisfactory efficacy. Therefore, selecting highly effective and low-toxicity formulations is critical for kiwifruit production. In this study, the plant extract―p-Cymene (PC, identified via laboratory screening) was used as a model compound with strong antibacterial activity to prepare CNC/surfactant synergistically stabilized Pickering emulsions (PC@PE). The CNC employed was the type I cellulose nanorods exhibiting structural integrity, and strong electronegativity, enabling the formation of oil-in-water Pickering emulsions. PC@PE stabilized with CNC and the surfactant SK-551 demonstrated high stability across temperature, pH, and ionic strength variations. Rheological analysis confirmed that PC@PE behaves as a non-Newtonian liquid with gel-like properties. PC@PE exhibited a surface tension of 25.90 mN·m- 1, a contact angle of 9.40° on kiwifruit leaves, a deposition of 48.36 mg·cm- 2, and an EC50 value of 69.089 mg·L- 1 against Pseudomonas syringae pv. actinidiae (Psa), indicating enhanced leaf affinity and biological activity. These results highlight the effectiveness of PC against Psa, expand the application of Pickering emulsions in agricultural disease management, and provide a new approach for controlling bacterial canker in kiwifruit.
Chen Jiefeng, Liu Wei, Zheng Wei, Zhang Mingguang, Leng Lijian, Yang Zequn, Qu Wenqi, Yang Jianping, Li Hailong
Vol. 91, Issue 3, Pages: 26-36(2026)
Published(online):2026-06-15
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Mercury chloride catalyst is widely employed for the polyvinyl chloride (PVC) production in China, whereas the catalyst deactivation mechanism which is crucial for the design, regeneration, and disposal of deactivated catalyst is still unclear. Herein, the physical and chemical characteristics of fresh and deactivated catalysts were systematically investigated. The results show that chlorinated organic compounds, including 2-chloromethyl-1,3-dichloro-2-methylpropane (C5H9Cl3), 1,3,3-trichloro-2-methyl-4-pentanone (C6H9Cl3O), and 1,3-dichloro-2-butene (C4H6Cl2), were identified as the dominant constituents of deposited carbon, which caused pore blockage and active site coverage. The content and species of mercury on the catalyst were changed after deactivation. The mercury content on the deactivated catalyst was decreased from 3.73%(mass) to 1.47%(mass). Nonlabile organic and elemental mercury instead of crystalline oxide-bound mercury dominate the mercury species on deactivated catalyst. The thermal stability of mercury species on the deactivated catalyst was reduced, in which the desorption peak temperature was decreased from 310 ℃ to 285 ℃. The content of other active components, including potassium, zinc, and copper chlorides, also declined. These findings offer critical insights for the design of mercury chloride catalyst and the development of deactivated catalyst regeneration or disposal technologies.
Liu Dingding, Huang Yating, Li Zhenguo, Jing Guohua, Li Yongdan, Zhao Huawang
Vol. 91, Issue 3, Pages: 37-48(2026)
Published(online):2026-06-15
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The advancements in engine technology have led to a decrease in exhaust temperatures, hence enhancing the activity of Cu-SSZ-13 at low temperatures becomes crucial and challenging. This enhancement can be achieved using dual-phase metal oxide/Cu-SSZ-13 composite catalysts. In this work, we evaluated the comparative efficacy of Mn3O4 and Mn2O3 and discovered that Mn3O4 exhibited a significantly superior enhancement in deNOx activity of Cu-SSZ-13 at low temperatures, achieving 95% NOx conversion at 200 ℃. This is substantially higher than the conversions recorded by Mn2O3/Cu-SSZ-13 (78%) and Cu-SSZ-13 (40%). Kinetic and IR results demonstrate that Mn3O4/Cu-SSZ-13 and Mn2O3/Cu-SSZ-13 composite samples share a same low-temperature pathway, where bridged nitrates formed on the MnOx react with NH+4 adsorbed on Brønsted acid sites in Cu-SSZ-13. In this reaction pathway, bridged nitrate formation is identified as the rate-determining step. The distinctive structure of Mn3O4 triggers an increase in oxygen vacancies, creating a higher content of chemically adsorbed oxygen, compared to Mn2O3. Those adsorbed oxygen facilitates bridged nitrate formation. Consequently, due to the larger amount of bridged nitrate formed on Mn3O4 compared to Mn2O3, the Mn3O4/Cu-SSZ-13 sample exhibits higher activity.
Leng Yu, Min Junying, Yang Daijun, Lv Xinyu, Yang Jian, Qian Junfeng, Ming Pingwen, Zhang Cunman
Vol. 91, Issue 3, Pages: 49-59(2026)
Published(online):2026-06-15
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For heat-assisted titanium bipolar plate (BPP) with coating directly applied in the surface of retained oxide film, heating temperature and holding time are critical parameters having great influence on oxide film formation, as well as corrosion resistance and durability of the titanium BPP substrate in proton exchange membrane fuel cell (PEMFC). However, the effect of heating temperature and holding time on corrosion resistance of titanium BPP substrate in PEMFC working condition remains unclear. This work aims to reveal the effects as well as to obtain the optimized parameters of heat treatment process for enhanced corrosion resistance of heat-assisted forming titanium BPP substrate. First, corrosion behaviour of ultra-thin titanium specimens with heating temperature and holding time within the range of 500—600 ℃ and 1—30 min, respectively, were investigated by potentiodynamic test, potentiostatic test, simulated PEMFC working condition (WC) test and electrochemical impedance spectroscopy (EIS) test. In addition, surface morphology, roughness, chemical compositions and phases in the surface of the titanium specimens were studied by confocal scanning laser microscopy (CSLM), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and X-ray diffraction (XRD). The results indicate that corrosion resistance of titanium bipolar plate substrate can be improved significantly as compared to the original specimen when titanium specimens is heated at 600 ℃ for 10 min. The self-corrosion current density and passive current density in simulated PEMFC working environment will be reduced to 0.070—0.085 μA·cm- 2 and 0.509—0.558 μA·cm- 2, respectively. In addition, corrosion current densities at potentials in the range of 0.6—1.4 V (vs. Ag/AgCl) are reduced to 0.011—0.040 μA·cm- 2. The enhanced corrosion resistance is mainly attributed to a better compactness of oxide film density, as well as higher corrosion resistance of the oxide film formed in the surface.
Cao Weijie, Wang Jing, Feng Xudong, Liu Hu, Li Chun
Vol. 91, Issue 3, Pages: 60-68(2026)
Published(online):2026-06-15
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The glycosylation of natural products like glycyrrhetinic acid (GA) is critical for improving their pharmaceutical properties. However, the industrial application of uridine diphosphate-glycosyltransferases (UGTs) is hindered by their low stability and difficult recovery. Microbial surface display addresses these issues but faces a key bottleneck in achieving high display efficiency and robustness, primarily dependent on the anchoring system. This study presents a systematic engineering approach to optimize the display of UGT on the surface of Komagataella phaffii (K. phaffii) for enhanced biocatalytic performance in GA glycosylation. Initial attempts using the K. phaffii-derived anchored protein GCW51 revealed low display efficiency, with only 2852 enzymes per cell and 8.1 μmol·L- 1 GA-3-O-Glc production, which severely limited its industrial application potential. To address this, we expanded screening to five additional anchor proteins, and structural characterization via fluorescence microscope, flow cytometry, and TEM confirmed successful surface localization of UGT in all engineered strains, with distinct differences in display efficiency. Among them, the GPI-anchored Agα demonstrated superior performance, achieving 8379 enzymes per cell (2.9-fold higher than GCW51) and 26.8 μmol·L- 1 GA-3-O-Glc production (3.3-fold improvement overGCW51). All displayed systems exhibited significantly improved thermal stability, with Agα-mediated display showing 3.0-fold longer half-life at 50 ℃ than free enzyme and 1.2-fold longer thanGCW51. To further enhance performance, we implemented β-glucan biosynthesis pathway engineering, yielding strain UGT-A-OE-3 with 11369 enzymes per cell (4.0-fold increase over GCW51) and 53% higher β-glucan content. The optimized system achieved 34.9 μmol·L- 1 GA-3-O-Glc production, representing a 4.3-fold improvement over the initial GCW51 system and 30% greater activity than the parental Agα strain. This work establishes an effective dual-engineering strategy combining anchor optimization with metabolic pathway enhancement, significantly elevating display efficiency. The developed platform shows significant potential for industrial biocatalysis applications, particularly in glycosylation reactions requiring robust and reusable enzyme systems.
Mati Ullah, Li Haiyu, Rahman Ullah, Chen Xingfeng, Muhammad Waqqas Hasan, Omotoso Ifeoluwa, Song Fangzhou
Vol. 91, Issue 3, Pages: 69-79(2026)
Published(online):2026-06-15
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Surface functionalization of nanoparticles has emerged as a key strategy to enhance their biological performance and minimize toxicity in cellular systems. We synthesized Chitosan-functionalized zinc oxide (CS-ZnO nanoparticles) and further characterized by TEM, UV-visible spectroscopy, XRD and FT-IR. Their biological effects were evaluated on mouse embryonic fibroblasts (MEFs) by assessing mitochondrial membrane potential (JC-1 staining), ROS production (DCFH-DA assay), and expression of differentiation regulators Prdm1 and Prdm14 through qPCR. Compared to unmodified ZnO nanoparticles, CS-ZnO nanoparticles showed reduced cytotoxicity, maintaining mitochondrial integrity and ROS homeostasis while upregulating Prdm1 and Prdm14 mRNA levels. These findings demonstrate that chitosan functionalization effectively mitigates ZnO nanoparticle cytotoxicity while preserving their bioactivity, offering promising potential for biomedical applications.
An Jiayi, Xue Kang, Peng Hao, Ai Minhua, Shi Chengxiang, Gao Ruijie, Wang Li, Zhang Xiangwen, Pan Lun, Zou Jijun
Vol. 91, Issue 3, Pages: 80-91(2026)
Published(online):2026-06-15
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Terpenoids are widely distributed and contain suitable polycyclic structures to easily synthesize high-performance fuels. However, synthesizing and testing the performance of each fuel compound result in a huge workload, thus necessitating a rational design of molecules. In this work, we designed abundant fuel molecules based on alkylation and cyclization derivatives of terpenoid (isoprene, myrcene, farnesene) and calculated their properties through group contribution, quantum calculation and molecular dynamics calculation. Random forest model was used to identify the key variables including the number of C and H atoms, H/C ratio and the standard molar enthalpy of formation. The results show that the boiling and flash points, critical pressure and specific impulse have quadratic function relationships respectively with the C atoms number, the H atoms number and the standard molar enthalpy of formation, while the fuel density is linearly correlated with H/C ratio. Residual analysis is applied to cyclization effect analysis, revealing that three- and four-membered rings significantly increase flash point, density and specific impulse. Potential biofuel compounds are selected based on the RP-3 standard and Z-score standardization, in which myrcene-derived fuels show the best performance, followed by farnesene-derived and isoprene-derived fuels. A tricyclic cyclopropane myrcene-derived fuel compound has been selected as potential biofuel, which possess a high density (1.034 g·cm- 3), low freezing point (219.05 K) and high heat value (43.8 kJ·g- 1). These findings are beneficial for future biofuel design and synthesis.
Zhao Kai, Lu Xilei, Wan Lining, Zhang Linlin, Jin Yulong, Wen Pengtao, Gao Jinhao, He Miao, Wang Qibo, Zhang Li
Vol. 91, Issue 3, Pages: 92-110(2026)
Published(online):2026-06-15
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A substantial amount hazardous chemical accident (HCA) data have been accumulated in the form of unstructured textual data, making systematic analysis and utilization challenging. More importantly, manually identifying and analyzing key information from a considerable quantity of accident data is inefficient and highly susceptible to subjective bias. To efficiently unlock the value of HCA investigation reports and uncover underlying accident patterns, a semi-automated method for knowledge graph (KG) construction has been developed to model the HCA data. First, an ontology that accurately expresses key factors of HCAs is established. Second, an automated method is developed for the identification, standardization, and enhancement of accident factors, which combines deep learning (DL) and natural language processing (NLP) techniques. Specifically, the deep neural network model, named interaction region and type information (IRTI) is proposed to extract accident factors and their relationships from lengthy HCA data with complex overlapping issues. Non-standard accident factors are standardized using ChatGPT-4 in combination with the proposed text clustering model, named contrastive learning-based short text clustering (CLSTC). The processed accident factors are used to construct the hazardous chemical accident knowledge graph (HCAKG). Finally, the risk factors in the HCAKG are statistically analyzed, and their internal topological relationships are explored to facilitate quantitative analysis. Data from HCA investigation reports are used to demonstrate the effectiveness of this method. The result shows that it improves the accuracy and efficiency of accident data analysis, promoting better risk assessment and management strategies.
Qiang Luyao, Bai Boyang, Sun Ming, Song Dengmeng, Hou Boli, Gao Ting, Ma Xiaoxun
Vol. 91, Issue 3, Pages: 111-126(2026)
Published(online):2026-06-15
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The pyrolysis behavior of coal exhibits critical temperature dependence, necessitating structureactivity relationship studies across defined temperature ranges. In this work, structural evolution and pyrolysis characteristics of hydrothermally (SD-HTP) and methane thermally (SD-CH4) pretreated Shendong coal were investigated through XPS and 13C NMR analysis, coupled with temperature-resolved pyrolysis (400—700 ℃) using powder-particle fluidized bed and Py-GC/MS. The results indicated that the oxygen content of SD-HTP and SD-CH4 decreased from 16.26% in the raw coal to 13.95% and 12.48%, respectively, while the hydrogen content increased from 4.47% to 5.01% and 5.31%. Both pretreatment methods selectively decomposed oxygen-containing functional groups such as OH, C—O, and COOR, disrupting the cross-linked network. SD-HTP enhanced phenolic hydroxyl groups through ether bond conversion in particular. These structural modifications significantly modulated temperature-dependent hydrogen and oxygen migration and pyrolysis product distribution. By optimizing hydrogen redistribution and suppressing cross-linking reactions, the tar yield of SD-HTP and SD-CH4 at 600 ℃ increased to 10.54% and 10.01%, respectively, compared to 9.23% for SD coal, while pyrolytic water decreased to 2.7% and 2.20% from 2.97%. Above 600 ℃, pretreated tars exhibited enriched MAHs/BAHs but reduced PAHs, with prominent phenolic compound retention due to inhibited condensation. Subsequently, pretreated chars developed higher microporosity, especially for the SD-HTP-600 char, the surface area increased from 3.65 to 6.26 m2·g- 1, accelerating CO2 gasification reactivity via lowered CO evolution temperatures and increased yields. This study established a link between thermal pretreatment caused structural reorganization and optimized pyrolysis-gasification pathways for efficient low-rank coal valorization.
Bubble is a widely used medium or reactant in many chemical processes, and the emerging microbubble-based process provides a feasible opportunity for efficiency enhancement. To point out the microbubble-based process intensification from the fundamental research to its industrial application, this review primarily focuses on the chemical process intensification of reaction and separation via the microbubble technology. The physicochemical properties of the microbubble are first introduced, and the progress of the preparation methods of the microbubble is also discussed. Besides, owing to the unique physicochemical properties of the microbubbles compared with the conventional bubbles, the advance of the reaction process intensification based on the physical property/chemical property/flow characteristic of microbubbles are separately discussed. In addition, the progress of the separation process intensification for the gas—liquid absorption and liquid—liquid extraction via microbubbles are introduced. Finally, to accelerate the microbubble-based chemical intensification technology application, the scaling-up of this technique is the most urgent issue to be addressed at present, and some outlooks on how to control the production and quantitative characterization of the microbubbles have also been proposed.
Qin Muxuan, Li Ziliang, Zhang Wei, Zhou Wenjin, Ren Boxiao, Yang Jiayuan
Vol. 91, Issue 3, Pages: 141-149(2026)
Published(online):2026-06-15
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Data scarcity is a critical challenge in microreactor modeling, often stemming from long experimental cycle times. This study proposes an innovative hybrid framework synergistically integrating transfer learning (TL) and generative adversarial networks (GANs) to overcome this limitation. TL was employed to extract generic mechanisms from conventional reactors, while GANs generated high-fidelity synthetic data. The resulting model, fine-tuned with limited experimental microreactor data, demonstrated enhanced domain adaptability. This synergistic framework achieved a 30.5% reduction in mean absolute error and a 27.8% improvement in the coefficient of determination (R2) compared to using TL alone. Furthermore, SHapley Additive exPlanations analysis elucidated the influence of key operating parameters. Subsequent optimization using a genetic algorithm identified optimal conditions, achieving a deviation of only 2.11% between model prediction and experimental validation. This work presents a robust approach for accurately modeling and optimizing microreactor systems under data-scarce conditions.
Yang Yiqian, Wang Gang, Sun Xiaoyan, Xiang Shuguang, Li Chunshan
Vol. 91, Issue 3, Pages: 150-160(2026)
Published(online):2026-06-15
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Gas-liquid hydrodynamic characteristics under chemical reaction-enhanced mass transfer are crucial parameters for analyzing mass transfer behavior in microreactor, which can facilitate the optimization of the reaction conditions to achieve efficient mass transfer and improve catalytic performance. Herin, the movement and shrinkage of CO2 bubbles in the microreactor were visualized and monitored using a high-speed camera. Four typical patterns such as bubble flow, bubble-Taylor flow, Taylor flow and Taylor-annular flow were observed, and the impact of temperature on flow pattern transition lines was investigated. Furthermore, the correlation models for predicting dimensionless initial CO2 bubble length (LB/d) and liquid-side volumetric mass transfer coefficient were developed to illustrate the effects of reaction conditions on the hydrodynamics and mass transfer behavior of CO2 bubble accompanying the chemical reaction. This work deepens the understanding of the hydrodynamics and mass transfer characteristics in a real CO2 cycloaddition reaction system and provides a theoretical basis for the design and optimization of gas-liquid microreactor.
Bo Cuimei, Li Xin, Wang Yu, Zhang He, Li Jun, Zhang Zhuxiu, Qiao Xu
Vol. 91, Issue 3, Pages: 161-174(2026)
Published(online):2026-06-15
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To address the limitation problem of existing chemical processes and equipment in micro-chemical systems, this study proposes an array-type integrated distillation unit model. The multivariable collaborative control of product concentration and top pressure in the integrated distillation system is achieved via multi-agent technology. To reduce the frequent changes in feed flow and reboiler temperature input control commands, an event-triggered mechanism is introduced to ensure smooth system operation. For obtaining the states of each production variable in the process, an array integrated simulation system for the distillation unit is developed, which successfully collects data sets of key production and control variables through process software simulation. Utilizing subspace system modeling techniques and normalized datasets, the state equations for single-cluster systems within the array-integrated model are constructed. Subsequently, the proposed coordinated control algorithm is applied to the production process of o-chlorotoluene within a limited range of operating variables. Finally, the proposed control methodology is verified via simulations using Aspen Plus process data to ensure the continuity of chemical production process.
In industrial production, the acquisition of critical quality variables often faces significant challenges due to high costs and data scarcity, which not only limit the improvement of production efficiency but also increase the difficulty of quality control. With the advent of the industrial big data era, the availability and diversity of data have greatly increased, offering opportunities to address these issues. To address the problem of data scarcity, this paper proposes a novel data augmentation method for soft sensing―FVAE-WGAN, which generates high-quality synthetic data to expand the training dataset of soft sensors, thereby enhancing their prediction accuracy and generalization capability. This method integrates two stacked variational autoencoder (VAE) models with a Wasserstein generative adversarial network (WGAN), constructing a generator capable of learning from a broader data distribution. Additionally, an encoder is embedded in the discriminator, enhancing the model's ability to utilize latent features of the data. By freezing specific layers of the discriminator, the proposed method reduces computational resource consumption during training and effectively mitigates overfitting. Experiments conducted on industrial process datasets show that theFVAE-WGANmodel outperforms comparative models in terms of accuracy and robustness. This approach not only alleviates the impact of data scarcity, but also optimizes the efficiency and reliability of industrial processes, thereby bringing substantial economic benefits to industrial production.
The extraction of phenol was conducted in the straight, helical and in-plane spiral microchannels using tributyl phosphate, methyltri-n-octylammonium chloride and 1-butyl-3-methylimidazolium hexa-fluorophosphate in kerosene, respectively. The results indicated that initial phenol concentration had little effect on phenol extraction efficiency but led to a near-linear increase in space-time yield of phenol. The phenol extraction efficiency initially rose sharply with capillary length before stabilizing, whereas space-time yield of phenol decreased continuously with increasing capillary length. Both extraction efficiency and space-time yield of phenol declined with increasing capillary inner diameter. In the straight microchannel, the phenol extraction efficiency increased with overall volumetric flow rate before leveling off, while in the in-plane spiral microchannel, it decreased with increasing flow rate. The space-time yields in both straight and in-plane spiral microchannels increased rapidly with rising overall volumetric flow rate. The extraction efficiency and space-time yield of phenol decreased with increasing helical diameter and pitch. Horizontal placement of the helical microchannel yielded higher extraction efficiency and space-time yield of phenol compared to vertical placement. Increasing the volume fraction of extractant in the extractant phase improved both extraction efficiency and space-time yield of phenol. Under optimal conditions, phenol extraction efficiencies in all three microchannels exceeded 99.8%. Among phenol-containing wastewater with identical flow rates and concentrations, the in-plane spiral microchannel demonstrated superior phenol extraction performance compared to the other two microchannel types. The improvement of extraction efficiency and space-time yield of phenol were realized through both reduction in microchannel dimensions and increase in the curvature of the microchannel.
Chemical Looping Reforming is an innovative methane-to-syngas conversion process offering high thermal efficiency, flexibility and H2/CO ratio of 2. This study investigates novel NiO-CeO2 oxygen carrier combination to leverage their individual benefits while exploring possible synergistic effects. Ther-modynamic simulations using Aspen Plus show that NiO-CeO2 mixtures promote partial oxidation, suppress carbon formation, and prevent total oxidation, improving cold gas efficiency (CGE), syngas purity, and exergy efficiency. This contrasts with single oxides: excessive NiO induces complete oxidation and CeO2 alone suffers from carbon deposition. The optimal composition of 3 kmol·h- 1 NiO and 1 kmol·h- 1 CeO2 provides enhanced syngas production, limited carbon deposition, 92% CGE, and 91% exergy efficiency, causing better temperature control and limited airflow requirements in the oxidation reactor. This supports experimental setups that typically use high MeO/CH4 ratios. The mixture tolerates CO2 in methane feed in proportions suitable for natural gas and biogas, promoting CO2 utilization and reducing emissions.
Hard sphere (HS) models are efficient for molecular dynamics simulation of dilute gases, but exhibit limitations for dense and real gases due to its oversimplification of molecular interactions. To improve simulation accuracy for real gases, the variable hard sphere (VHS) model has been proposed. However, similar to the HS model, VHS is difficult to parallelize in computing due to its inherent serial algorithm. The pseudo-particle modeling (PPM), based on a modified HS model, can circumvent this difficulty to some extent and, when further coupled with HS, can achieve almost linear scalability at large-scales, but it is still difficult to accurately simulate real gases. In this work, a variable-diameter model based on PPM (VPPM) was proposed, in which the collision diameter is dynamically determined by the timestep and relative velocity of colliding particle pairs. Through systematic investigation of gas system properties including the mean free path, compressibility factor, and self-diffusion coefficient, the VPPM simulation shows excellent agreement with the VHS results, confirming both the model's effectiveness and successful coupling of VHS and VPPM. Furthermore, the viscosity coefficients of three-dimensional real gases obtained by VPPM in the temperature range of 300—2000 K are consistent with experimental data, with a maximum relative deviation of only 3.7%, significantly outperforming conventional PPM (48% deviation) and Chapman—Enskog theory (35% deviation). It demonstrates that VPPM is highly suitable for accurate and large-scale parallel simulations of real gases, particularly in high temperaturegradient systems such as gas—solid catalytic reaction, gas diffusion, adsorption and separation in chemical engineering, and aerospace applications, especially under significant temperature gradients.
Aqueous zinc-ion batteries (AZIBs) are a promising alternative to lithium-ion batteries due to their safety, environmental compatibility, and cost-effectiveness. The development of advanced electrode materials is crucial for realizing their potential. Organic electrodes, with their structural diversity, renewability, and reversible Zn2+ storage mechanism, offer significant advantages over inorganic materials. However, challenges such as slow electron transfer, dissolution in electrolytes, and limited active sites hinder their widespread use. This review systematically categorizes and evaluates major classes of organic electrode materials, including carbonyl compounds, imine compounds, conductive polymers, and covalent organic frameworks (COFs), highlighting their inherent electrochemical properties and corresponding strategies for performance optimization. It offers a thorough review and synthesis of recent advancements aimed at improving key electrochemical metrics, such as specific capacity, rate capability, and cycling stability. Detailed analysis is provided on critical modification techniques, encompassing molecular structure engineering, hybridization with conductive carbon matrices, and nanostructural optimization. Illustrative case studies further demonstrate the effectiveness and mechanistic insights of these approaches. Finally, the review outlines future research directions for organic electrodes in AZIBs, addressing challenges like scalable production, cost efficiency, and sustainability. By consolidating these insights, this work seeks to guide the development of high-performance organic electrode-based AZIBs.
Fly ash, a by-product of coal combustion, holds significant potential as a reactive feedstock for CO2 mineral carbonation, presenting a viable method for permanent CO2 sequestration. Despite its high availability and cost-effectiveness advantages, fly ash typically exhibits low carbonation rates and efficiency. This research examines the carbonation behavior and underlying mechanisms of fly ash, using a process in which CO2 is first captured in KOH to form K2CO3, providing a uniform distribution of carbonate ions that enhances Ca2+ dissolution and accelerates CaCO3 precipitation. Semi-batch carbonation experiments investigated the impact of solid-to-liquid ratio, temperature, and reaction time on overall carbonation efficiency, while multi-cycle carbonation experiments assessed process repeatability and solvent regeneration potential. Results indicated that calcium-bearing phases in fly ash, such as lime, anhydrite, and brownmillerite, react effectively with CO32- , leading to the formation of CaCO3. Higher solid-to-liquid ratios and elevated reaction temperatures enhanced sequestration rates and carbonation efficiency. The pre-loaded K2CO3 solvent, free from gas—liquid mass transfer limitations, enabled efficient carbonation even at high solid-to-liquid ratios by shifting the rate control to mineral dissolution, offering a scalable and low-energy alternative to direct CO2 bubbling. Multi-cycle experiment results confirmed effective CaCO3 precipitation and solvent regeneration at ambient pressure and temperature, supporting a sustainable and economically viable carbonation process. This study provides critical insights into optimizing fly ash mineral carbonation, contributing to enhanced CO2 capture strategies in coal-based power generation.
The movement of three-phase contact line (TPL) has an important effect on the process involving the gas—liquid—solid three-phase system, such as heat and mass transfer, reaction rate and separation efficiency. In this work, bubble detachment on a flat solid surface was visualized, and the asymmetric retraction behavior of TPL was investigated. Due to the imperfection of solid surfaces, a stick-slip motion of TPL was observed during the retraction process, leading to the asymmetric behavior of TPL. It was found that the lower the detachment speed, the rougher the solid surface and the longer the initial length of the TPL, the more pronounced the TPL asymmetric motion. The dynamic force during bubble detachment was calculated, and the behind mechanism of the asymmetric motion of TPL was revealed. In addition, both the detachment velocity and solid wettability will affect the pinch-off of gas—liquid interface, as well as the volume of trapped bubbles.
In this study, a high-efficiency seaweed-based porous biochar was synthesized via a combined preimpregnation and template method for effective removal of Hg2+ from aqueous solutions. The biochar was fabricated by pyrolyzing hydrochloric acid-impregnated seaweed biomass with ZnCl2 as a template under nitrogen atmosphere. Key preparation parameters, including pyrolysis temperature (500—800 ℃), heating rate (5—20 ℃·min- 1), holding time (60—210 min), and biomass—template mass ratio (0.5:1—5:1), were systematically optimized to enhance adsorption performance of biochar. Under optimal conditions (pyrolysis temperature: 600 ℃, heating rate: 10 ℃·min- 1, holding time:150 min, biomass—template mass ratio: 3:1), the prepared biochar exhibited a remarkable adsorption efficiency of 87.12% for 200 mg·L- 1 Hg2+ aqueous solution, with an adsorption capacity of 87.12 mg·g- 1. Cl introduced via pre-impregnation and template method facilitated the formation of stable chloromercury complexes (e.g., HgCl2). Oxygen-containing functional groups (e.g., —COOH) on the biochar surface promoted Hg2+ adsorption through coordination bonding and electrostatic interactions. Notably, the ZnCl2 templating method significantly enhanced the biochar's specific surface area, creating abundant pore structure for Hg2+ adsorption. The collaborative pre-impregnation and template strategy significantly simplifies the preparation and modification process of biochar. In addition, it provides a new method for chlorine enrichment and pore structure optimization of biochar, thus achieving breakthroughs in adsorption efficiency, capacity, and process simplification of Hg2+ removal.
Dope dyeing technology offers a cost-effective and simple solution for producing colored photovoltaic encapsulation films on a large scale. The dispersion quality of micro amount of pigments is critical for light transmittance and photoelectric conversion efficiency. To achieve the uniform dispersion, mixing performance of pigments using a twin-screw extruder and a cavity transfer mixer (CTM) was comparatively investigated under identical processing conditions. Qualitative analysis was evaluated through electron microscopy of agglomerate and element distribution. Quantitative analysis was evaluated by CIE L*A*B* color space and color difference. The results revealed that CTM-processed samples, under identical conditions, achieved a significantly higher degree of dispersion uniformity. Building on this, the study systematically analyzed the impact of varied operational parameters within the CTM on both mixing and color performance. This provides a crucial foundation and a feasible strategy for developing multi-colored solar encapsulation films with enhanced visual characteristics.
Persulfacte(PDS) activation by metal-free carbons is promising for water decontamination. Neverthe-less, developing high-performance catalysts has been limited by the ambiguous understanding of the role of carbon structure in PDS activation behavior. In this study, the PDS activation using a series of sp2-sp3 carbon hybrids from modified activated carbon (AC) for Phenol (PE) removal. The activity of AC displays a volcano-type trend with sp3/(sp2+sp3) ratio, the catalyst with optimized ratio of 27% exhibited the best catalytic activity for PDS activation and PE removal. Defect sp3-C can modulate electron structure of sp2-sp3C, which determines the PDS activation path. At the electron-rich sp2-sp3C, PDS tend to reduce for generation the sp2-sp3C-PDS*and induces a strong electron-transfer oxidation pathway. This study provides a guidance for designing of metal-free carbon catalysts for water purification.
Anam Jalil, Fabrice Ndayisenga, Hikmatullah Ahmadi, Wang Xiangyang, Yu Zhisheng
Vol. 91, Issue 3, Pages: 312-325(2026)
Published(online):2026-06-15
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This study compares the impact of heat and chloramphenicol pretreatments on seed sludge for biohydrogen production from food waste (FW) using an integrated dark fermentation (DF)—microbial electrolysis cell (MEC) system. Each reactor was fed 360 g FW (~14400 mg·L- 1, COD), with performance assessed via biogas production, effluent characterization, and kinetic modelling. Heat pretreatment notably enhanced reactor stability and substrate utilization, achieving higher COD removal (65.00% ± 1.50% vs. 50.00% ± 1.20%) and near-complete carbohydrate degradation (~100% vs. ~80%) compared to chloramphenicol pretreatment. Total biohydrogen yields were 2.01 ml·g- 1 (heat) and 2.10 ml·g- 1 (chloramphenicol). Effluent analysis showed greater reductions in VFAs in the heat-pretreated group (1.50 to 0.60 g·L- 1), particularly acetic and butyric acids. One-way ANOVA confirmed significant differences in COD (F = 12.74, p = 0.004), carbohydrate degradation (F = 15.88, p = 0.002), and VFA levels (F = 10.63, p = 0.05). Kinetic modelling via the Modified Gompertz model indicated more stable hydrogen production in the heat-pretreated system, with a lower reduced chi-square (584.72 vs. 1392.72) and less variability (±288.47 ml vs. ±390.90 ml). Strong inverse correlations were observed between hydrogen yield and both COD (r = - 0.917) and VFAs (r = - 0.894), indicating that higher hydrogen production was associated with greater organic matter degradation and VFA consumption, thereby validating the system's performance. These findings support heat pretreatment as a statistically validated and scalable strategy to enhance hydrogen yield and operational resilience in FW-fed DF—MEC systems.
Guo Letao, Tang Wenna, Yang Lixia, Yang Mei, Chen Guangwen
Vol. 91, Issue 3, Pages: 326-339(2026)
Published(online):2026-06-15
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3-(3-Pyridyl)acrylic acid is an essential cap motif in chidamide and related analogues. Conventional synthetic routes, including Knoevenagel condensation, Horner—Wadsworth—Emmons reaction, and Heck coupling, are limited by the use of pyridine, generation of phosphorus-containing waste, or reliance on costly Pd catalysts. Here we report an alternative one-pot synthesis of 3-(3-pyridyl)acrylic acid via an aldol addition—hydrolysis—dehydration sequence, starting from tert-butyl acetate and 3-pyridine aldehyde, that eliminates chromatography and recrystallization. A streamlined workup, based on quenching and phase separation, retains intermediates in a compatible medium for direct transfer to downstream steps, while the final product precipitates with 100% high performance liquid chromatography purity upon simple pH adjustment. Optimized conditions deliver yields above 90% in each step, affording an overall yield of 84%. Moreover, implementation of continuous flow for the aldol addition enabled β-hydroxy ester intermediate production at scales exceeding 100 g·h- 1.
Lithium iron phosphate (LiFePO4, LFP) is widely used in lithium-ion batteries; however, its application is limited by its low conductivity and slow lithium-ion diffusion. Herein, to address the aforementioned issues, a lamellar-structured LFP/EG modified with freeze-dried eggplant-derived carbon was synthesized via a facile sol-gel method. The sheet-like, porous structure formed by the bio-template carbon helps suppress the coarsening of LFP particles, thereby enhancing the surface area (105.2 m2·g- 1) and shortening the lithium-ion diffusion path. Additionally, the defects generated in the carbon matrix resulted in a high degree of graphitization (ID/IG =0.94), which improved the conductivity. Compared with glucose-derived carbon-coatedLFP (LFP/GL), the LFP/EG composite exhibited a discharge capacity of 125.8 mA·h·g- 1 at a 1 C rate, with a capacity retention of 95.1% after 100 cycles, outperforming LFP/GL. This study shows that biomass-derived carbon effectively overcomes the inherent limitations of LFP, providing a new approach for the development of sustainable high-performance cathode materials.
A novel self-priming jet impeller combined with upward and downward impact jet pipes was inves-tigated to enhance the shear-thinning characteristics and the viscosity uniformity of non-Newtonian fluids within the stirring tank. And the dislocation angle α was defined as the angle between the up-ward and downward impact jets. The effects of this angle on mixing efficiency, power consumption, and flow field characteristics were analyzed through numerical simulation and experimentation. Results indicated that the radial and axial mixing performance was improved due to the interaction between the self-priming flow, the up-impact jet, and the down-impact jet. This interaction prevented the deposition of high-viscosity fluid at the bottom and near the tank wall. When α ≤ 50°, the jet development space was sufficient, accelerating fluid shear-thinning in the jet shear layer. At α =50° and 70°, flow circulation and field synergy were enhanced, effectively improving overall viscosity uniformity within the tank while maintaining low power consumption. The jet impacted at the tank wall for α = 90°, and the axial flow was weakened, and both shear-thinning characteristics and viscosity uniformity were decreased. The result was validated through optimization design using non-dominated sorting genetic algorithm II. The study holds significant implications for the promotion and application of the self-priming jet impeller and exploration of jet-mechanical coupling theory.
Currently, research on the synthesis process of 1-methoxy-2-acetone (MOA) is relatively scarce in academia, leading to various deficiencies in its practical production applications. This study developed an environmentally friendly and efficient method for MOA synthesis that utilizes an undivided electrolytic cell, where 1-methoxy-2-propanol (MOP) undergoes direct electrochemical oxidation to MOA using a nickel-based catalyst (Ni(OH)2/NF) in an alkaline medium. Various electrolysis parameters, including current density, electrolyte pH, and MOP concentration, were systematically investigated and optimized. Under optimized conditions, the yield of MOA reached 77%. Through comprehensive electrochemical analysis and characterization techniques, we proposed a possible cyclic reaction pathway. This research demonstrates that the electrochemical oxidation of MOP in an undivided electrolytic cell represents a promising and sustainable approach for MOA production, establishing a theoretical foundation for the industrial application of alcohol and aldehyde electrooxidations.
Yin Jingping, Gu Xuanning, Wei Ting, Xiao Jiali, Sun Shuying
Vol. 91, Issue 3, Pages: 371-379(2026)
Published(online):2026-06-15
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The desiliconization solution is a byproduct generated during the extraction of aluminum from high-alumina fly ash. While there is considerable research on the reutilization of fly ash, there is a paucity of studies on managing the waste liquid derived from this process. The desiliconization solution exhibits high alkali content, and inadequate treatment could lead to significant environmental contamination. In this research, the synthesis of Zeolite Socony Mobil-5 (ZSM-5) zeolite involved the utilization of a desiliconization solution as a source of silicon and aluminum. The study assessed the impact of various impurities present in the desiliconization solution on the synthesis of ZSM-5 zeolite. Lithium and potassium ions had minimal influence and somewhat enhanced the relative crystallinity of the zeolite within a specific range. The negatively charged surface of ZSM-5 zeolite showed no significant reaction to small concentrations of lithium and potassium ions, which primarily resided on the zeolite surface to maintain charge equilibrium. Conversely, ferric ions, having a charge similar to aluminum ions in the structure, could potentially compete with aluminum ions. The findings indicated that concentrations of lithium, potassium, calcium, and iron below 0.6, 0.5, 0.03, and 0.04 g·L- 1, respectively, did not exert adverse effects on the crystallinity of ZSM-5 zeolite. Furthermore, the mesoporous ratio of ZSM-5 zeolite was enhanced through sodium hydroxide modification. Assessment of the adsorption performance of ZSM-5 zeolite for lead demonstrates that the saturated adsorption capacities of impurity-containing and impurity-free zeolites are 91.46 and 137.76 mg·g- 1, respectively. This procedure facilitates the high-value utilization of desiliconization liquid by employing synthetic zeolites to address lead-containing waste liquid, thereby achieving waste-to-waste conversion. Additionally, it offers insights for the production of ZSM-5 from alternative high-silicon waste sources.