Artificial intelligence has driven rapid advancements in the design of complex chemical engineering processes with a new data-driven model, serving as a powerful force behind transformative developments in the chemical industry and holding significant implications for the evolution of research paradigms, new technologies, and industrial processes. This paper focuses on the progress of intelligent algorithms in the design of complex chemical processes, and systematically outlines the applications in molecular structure and property prediction, recommendation of reaction and separation pathways, and intelligent optimization of process parameters. The paper also summarizes the performance of intelligent algorithms in big datasets collection and cleaning, pattern recognition, and trend prediction. It provides an in-depth analysis of the challenges faced by intelligent algorithms in chemical process design, including issues related to the lack of professional feature data quality and the insufficient interpretability of models. The paper proposes the practical need for the development of comprehensive multi-level chemical big datasets, the continuous exploration of the relationship between intelligent algorithm structures and chemical process node information, and further improvements in the interpretability and structural stability of intelligent models. These efforts aim to construct a large-scale model framework for intelligent chemical process design, from molecular structure recognition to process design, and ultimately realize intelligent design in the chemical industry.

In response to the high carbon emissions, high energy consumption, and low utilization efficiency of coal resources in traditional coal to methanol processes, two new green hydrogen efficient coupling processes (process Ⅰ and Ⅱ) were proposed, which introduced carbon dioxide hydrogenation technology and dry reforming of methane technology, respectively. Taking the traditional coal to methanol route with an annual production capacity of 3×10⁵t as a case study, the material changes and energy consumption of the green hydrogen coupling processes were systematically analyzed through theoretical analysis and Aspen simulation. A comprehensive techno-economic analysis was conducted, comparing the new processes with the traditional coal to methanol process from multiple dimensions, including energy consumption, carbon emission intensity, carbon utilization efficiency, investment costs, and production costs. The results showed that compared with the traditional coal to methanol process, the carbon element utilization rate of the new process Ⅰ and new process Ⅱ had increased from 38.74% to 84.56% and 67.60%, the coal consumption per ton of methanol had decreased from 1.42t to 0.65t, and the carbon emission intensity per unit of methanol had decreased by 62.84% and 56.42%, respectively. Through the analysis of investment and production costs, it was found that due to the influence of hydrogen production scale, the investment of new process Ⅰ was relatively high, while the total investment of new process Ⅱ was comparable to that of the traditional process. Presently, owing to the high cost of hydrogen, the unit production costs of methanol for the two new processes were 1.84 times and 1.51 times of the traditional process, respectively. However, with the implementation of increasing carbon taxes and decreasing hydrogen production costs, the economic advantages of the new processes would become increasingly apparent. Both processes significantly reduced carbon emissions while increasing methanol production capacity, offering advantages in terms of energy efficiency and economic performance, and demonstrating promising application prospects.

CCUS technology is an important way to achieve the carbon peak and the carbon neutrality. However, the technology from CO₂ capture to utilization and storage is still immature in various stages. Factors such as environmental risks, safety risks, production costs and social acceptance hinder the large-scale commercialization of the technology. This article reviewed the domestic and international support policies and measures for CCUS technology, and introduced in detail the policy guidance, investment funding, market mechanisms, tax policies and capacity building that promoted the development of the CCUS industry. These policies aimed to reduce the costs of projects, improve the maturity of the technology and create a more sustainable and feasible market environment for the development of the CCUS industry. The article emphasized that government policy support and financial investment were key factors in promoting the development of CCUS technology and achieving the goal of net-zero emissions. There were still issues with the economic and technical challenges of CCUS technology, and continuous policy support was crucial to overcome these challenges. By reducing technology costs, improving technology maturity and market acceptance, and establishing a sound technical standard and regulatory system, CCUS technology would play an important role in achieving the goal of carbon neutrality.

Adiponitrile, as one of the main raw materials for producing polyamide (nylon 66), has been long monopolized by foreign companies. In recent years, the research on the high efficiency production methods of adiponitrile has gradually become a hot topic because the increasing demand of nylon 66 helped bring about the growing gap between adiponitrile supply and demand. The basic research, process characteristics and development direction of the preparation methods for adiponitrile were introduced in the article, such as butadiene method, acrylonitrile electrolytic dimerization method and adipic acid ammoniation method. In addition, the application feasibility of process intensification technology in acrylonitrile electrolytic dimerization method and adipic acid ammoniation method were discussed in depth from the view of reaction mechanism in the review. Finally, the kinetics and thermodynamics of adipic acid ammoniation were summarized. The application of the process intensification technology would be the key to promoting efficient and green production of adiponitrile, which was of great significance for the improvement and autonomy of adiponitrile production technology.

Adsorbent research is crucial in the field of adsorption and separation, so the key to accelerating the development of new adsorption separation technology lies in the screening of porous adsorbents. New porous materials of metal-organic frameworks have received widespread attention in the field of adsorption and separation. The number of them has exploded in recent years, but it has also brought pressure to the screening of adsorbents. Machine learning has brought innovative breakthroughs in the discovery, design and application of porous materials, leading the research of porous adsorbents into a new data-driven paradigm. This article introduced the current status of machine learning research in the field of porous adsorbents in recent years. Through key case studies, it sorted out the progress in the database of porous materials, adsorption performance prediction and other related machine learning works, and analyzed the principles and characteristics of model input in porous material machine learning. Finally, it was concluded that standardized databases, knowledge transfer, bridging the gap between experimental and simulation data and interpretable models were the future development directions of machine learning research on porous adsorbents.The article provided concise resources for researchers who wanted to use machine learning to develop new porous adsorbents.

The frequent occurrence of chemical process reaction safety accidents poses a huge threat to the sustainable development of the chemical industry. Currently, China’s chemical industry is facing severe challenges in reaction safety management. Although the current standard, “Specification for safety risk assessment of fine chemical reactions” (GB/T 42300—2022), provides basic guidance for reaction safety, it has several shortcomings in areas such as risk identification, model accuracy, data measurement, early warning and prevention, reaction process and process coverage. To address these issues, a “1+N” model for a reaction safety technology system was proposed in the present study. This system emphasized the use of “data + models” in the risk assessment process to improve the ability to identify and manage high-risk working conditions. This system was based on the “1” standard of GB/T 42300—2022, supplemented by “N” evaluation methods. It used appropriate models to make judgments and adopted appropriate safety risk assessment methods for reactions of high-risk, medium-risk and low-risk hazard levels and different reaction systems to determine safety thresholds and safety boundaries. And controllable explosions should be kept in the laboratory to avoid large-scale accidents in the factory. This reaction safety technology system not only helps reduce the accident rate but also will effectively improve safety standards of the entire industry in the future, promoting the healthy and stable development of the chemical industry.

With the increasing global demand for clean energy, the development and application of green ammonia as a carbon free clean fuel have received widespread attention. The research work in this article broke through the limitations of existing studies that mainly focused on short-term modeling and optimization of green ammonia synthesis systems. And focusing on the issue of high production costs of clean fuels, it innovatively proposed a long-term green ammonia synthesis model that considered continuous changes in grid carbon emission factors. This model fully considered the greenness of the product and added economic indicators such as loans, income tax, and internal rate of return to achieve dual optimization of environmental and economic benefits. Through simulation analysis of a green ammonia project under three different scenarios of changes in grid power carbon emission factors, this article revealed the positive impact of reducing grid power carbon emission factors on the system's grid power proportion, stability, product output, and project revenue. The simulation results show that in the fast transition scenario, the project has the best economic benefits, and the optimal scale of the corresponding synthetic ammonia plant is 2.7×10⁵t/a. In this case, the total investment cost is 5.566×10⁹CNY, and the average production cost of green ammonia is 2218.6CNY/t. According to sensitivity analysis, the cost of wind turbines, the price of green ammonia and off grid electricity prices have a significant impact on the average production cost of green ammonia. This study provides a scientific basis for the long-term planning and decision-making of green ammonia synthesis projects, which is of great significance for promoting the sustainable development of the green ammonia industry.

With the accelerated development of China's new-type power system and the progressive improvement of green energy supply infrastructure, the restructuring of energy-intensive and carbon-intensive industries has increasingly focused on reforming driven by electrification. During this electricity-centric restructuring process, a critical challenge arises from the temporal-spatial and stability mismatches between hydrogen-intensive industries (inherently governed by chemical process dynamics) and renewable energy-dominant power systems (primarily photovoltaic and wind). To address this, a conceptual model of net-zero industrial parks was proposed. Innovatively, this study identified the core of green electricity restructuring was the conversion of electrical energy into synergistic energy flows, matter flows and information flows, and the pivotal scenario was the green energy gas hub of the net-zero industrial park. For decarbonizing four key industries (refining, steel, synthetic ammonia and cement), the core technologies were developed: direct steam cracker electrification technology, hydrogen metallurgy technology, electrochemical ammonia synthesis technology, dry reforming technology and electrothermal steady-state high-temperature heating technology. From an integrated source-grid-load-storage perspective, the pathway construction for net-zero industrial parks emphasized four paradigms supported by demonstration projects, thereby providing critical insights for industrial decarbonization.

With rapid development of artificial intelligence (AI) technology and the reduction in application costs, AI has penetrated many traditional industries, driving changes in the industrial landscape. The chemical industry, an important part of the global economy, has long faced challenges such as high energy consumption and environmental pollution. It is confronted with a series of "neck-breaking" problems, including complex process optimization and system scheduling, low catalyst R&D efficiency, difficulty in fault diagnosis and inaccurate product prediction. Artificial neural network (ANN), with its powerful nonlinear mapping, self-organization and adaptive learning and big data-driven characteristics, has been gradually integrated into basic chemical research and production processes, providing new opportunities to solve these problems. This paper reviewed the current status of ANN applications in the chemical industry, including catalyst design and selection, reaction condition optimization, chemical product analysis and prediction, process system optimization, and environmental monitoring and management. It discussed breakthrough paths and specific cases of ANN-driven chemical industries, analyzed the shortcomings and challenges of existing ANN applications in the chemical industry, and finally proposed directions for future applications in the chemical industry.

FeCu-ZSM-5 heterobimetallic zeolite exhibits a broad application prospect in the selective catalytic reduction with ammonia (NH₃-SCR) due to the advantage complementary and synergistic effect of different metals, however, its preparation faces serious problems of high material and energy consumption as well as environmental pollution. In view of this, a synthetic study was conducted to explore a new green preparation process for hierarchical FeCu-ZSM-5 zeolite using natural minerals as precursors and without templating agents. During the synthesis process, natural minerals served as the sole source of silica, alumina, and iron, with no organic templating agents added, and a crystal seed inducing synthesis approach was employed. The optimal synthesis conditions were determined by systematically investigating the key influencing factors. The NH₃-SCR performance of the synthesized hierarchical FeCu-ZSM-5 was examined, and various characterization techniques were used to probe the structure-performance relationship of the hierarchical FeCu-ZSM-5. The results indicate that the incorporation of Cu significantly enhances the low-temperature denitration activity of the FeCu-ZSM-5 zeolite, thereby expanding its temperature window. The introduction of Cu does not alter the topology of FeCu-ZSM-5 but can modulate the location and distribution of Fe and Cu within the zeolite, as well as its reducing and acidic properties. The presence of higher framework Fe, isolated Cu²⁺ ions, and good redox capacity and suitable acidity collectively contribute to the superior denitration performance of the FeCu2-ZSM-5 zeolite.

Microreactors, as key devices for process intensification, have been applied in several fields. However, the lack of a microreactor module in most process simulation software has hindered its application in industry to some extent. In this paper, based on transfer learning, a product yield prediction model for Aspen microreactors applicable to large gas-liquid ratio is proposed, and the accuracy of the model is verified by taking the process of synthesizing dodecylbenzene sulfonic acid by large gas-liquid sulfonation in a microreactor as an example. First, 38 sets of yield data of dodecylbenzene sulfonic acid are collected in a T-type microreactor through sulfonation experiments with gas-liquid ratios ［(2000∶1)—(3000∶1)］, which serve as the target domain for transfer learning. A preliminary product yield prediction model for the process is developed based on the microchannel annular flow characteristics using the flat push-flow reactor (PFR) module of Aspen Plus, and 29700 sets of source domain data are generated. Considering the features such as fluid dynamics and microchannel structure, this study adopts and adapts the conditional adversarial domain adaptation network (CADAN) in transfer learning, including the adoption of a deep ReLU network architecture and optimization of the adversarial loss function. Subsequently, the feature extractor is trained using simulated data and the conditional adversarial domain adaptation is trained using experimental data. The final model fit coefficient (R²) can reach 0.9346, which is improved by 14.6% compared to the artificial neural network and 98.18% compared to the PFR model. Meanwhile, the model maintains an R² greater than 0.78 at 20% noise level, and the root mean square error is as low as 5.07, which is better than that of the artificial neural network under the same conditions, showing high prediction accuracy and strong robustness.

The centrifugal contactor (CC) is a kind of efficient solvent extraction equipment for phase separation of two-phase by centrifugal force. The CC has many advantages when it is used in the reprocessing of spent nuclear fuel, and therefore being recognized as the development direction of nuclear extraction equipment. An industrial-scale ϕ150mm CC with 150mm in the rotor inner diameter for nuclear industry has been developed to achieve the application of CCs in future nuclear fuel reprocessing plants in China. When the rotor speed is 3000r/min, its separation factor is 755. Experimental studies were systematically carried out to obtain performance of the single-stage and 5-stage cascade industrial-scale ϕ150mm CCs for nuclear industry using 30%TBP/kerosene-HNO₃ solution extraction system. It is shown that the maximum processing capacity and mass transfer efficiency of the ϕ150mm CC for nuclear industry can reach 1532L/h and 96% under certain experimental conditions, respectively, which shows that the ϕ150mm CC for nuclear industry has excellent hydraulic performance and mass-transfer efficiency. Meanwhile, the liquid hold-up volume of a stage is about 6.33—6.53L. All of these indicate that the industrial-scale ϕ150mm CC for nuclear industry meets the requirements of nuclear fuel reprocessing plants for extraction equipment, and thus has good application prospect.

In the context of China’s “Dual Carbon Strategy” and the nationwide construction of the “Integrated National Oil and Gas Pipeline Network”, the transportation of oil and gas is evolving into a new pattern. Batch transportation of petroleum products faces increasingly diverse and complex operational conditions. Accurate tracking of crude oil interfaces and precise prediction of crude oil lengths significantly influence the determination of cut times for diverse petroleum products, calculation of mixed oil volumes, and formulation of mixed oil treatment schemes. These technical indicators are crucial for ensuring high-quality and high-standard batch transportation. This paper provided a comprehensive review of the current developments surrounding several key issues in the batch transportation of petroleum products. Firstly, it elucidated the primary factors influencing the mixed oil characteristics during batch transportation and analyzed their specific influencing patterns and mechanisms. Furthermore, it examined the current status of development in mixed oil interface tracking and monitoring technologies, highlighting existing technical deficiencies and future directions for improvement. The paper systematically outlined the development of mixed oil length calculation models. Presently, calculations of mixed oil length commonly utilized the Austin-Palfrey empirical formula, yet there remained a need for enhanced accuracy and applicability. There was a lack of comprehensive research outcomes focusing on innovative approaches and breakthroughs in both the form and content of mixed oil length calculation models that integrated pipeline parameters, flow parameters, and the thermo-hydraulic coupling process. Future efforts should center on innovative developments in petroleum tracking, monitoring technologies, and mixed oil length calculations amidst the complex challenges posed by China’s new era of sequential petroleum transportation. These advancements aimed to transcend current paradigms and contribute towards achieving safe, efficient, and low-carbon petroleum transport.

Entrained flow bed gasification technology has stringent requirements for raw material particle size, as it significantly affects transportation performance, gasification efficiency, and product quality. This paper, setting against the backdrop of biomass entrained flow bed gasification, uses agricultural waste rice husks as the experimental material to explore the impact of particle size on the morphological characteristics, flowability, and reactivity of the powder. The results indicate that reducing particle size can reduce the anisotropy of rice husk powder, enhance the adaptability of the entrained flow bed process to biomass feedstocks, and facilitate the resolution of challenges associated with the diversity, regionality, and seasonality of biomass. The bulk density of rice husk powder shows a trend of increasing and then decreasing with decreasing particle size. The inter-particle interactions at small particle sizes and the needle-like characteristics of particles at large sizes are the main reasons for the loose packing structure and high porosity of the bed layer. The feeding flow rate of rice husk powder first increases and then decreases with particle size. For rice husk powder with large particle sizes, gravity plays a dominant role in the feeding process, and the Beverloo model predicts quite accurately. However, for rice husk powder with particle sizes less than 100μm, the influence of inter-particle forces cannot be ignored, and correcting for this factor makes the model prediction closer to the experimental values. The smaller the particle size, the faster the reaction rate of rice husk powder; however, rice husk powder with large particle sizes still exhibits high reactivity. Therefore, for biomass entrained flow bed gasification, when using feedstocks with good reactivity such as rice husk powder, it is feasible to increase the particle size of the feedstock entering the furnace to reduce the cost of powder production. This study has certain reference significance for the conversion and utilization of agricultural waste such as rice husks.

Co-pyrolysis of municipal sludge and sawdust was conducted, followed by activation modification using different activators (KOH, K₂CO₃) and various activation methods (ball milling activation, impregnation activation). A series of sludge-sawdust-based activated carbons were prepared, and the adsorption behavior of benzene-series VOCs on these prepared carbon materials was studied through adsorption experiments. The study found that all four types of sludge-sawdust-based activated carbons contained abundant microporous and mesoporous structures. Among them, KOH-ball- milling-modified co-pyrolysis carbon (H-SBBC) possessed the highest specific surface area (1640.21m²/g) and pore volume (1.0384cm³/g), with a surface exhibiting a honeycomb-like three-dimensional pore structure conducive to the adsorption of gaseous pollutants. The results of dynamic adsorption experiments showed that H-SBBC had the highest saturated adsorption capacities for toluene and p-xylene, being 270.80mg/g and 312.86mg/g, respectively. Its excellent adsorption performance stemmed from its developed pore structure and abundant surface functional groups. The static adsorption experiments indicated that the adsorption processes of toluene and p-xylene on H-SBBC conformed to the Langmuir-Freundlich (L-F) model, primarily involving physical adsorption, with H-SBBC showing higher affinity towards p-xylene. After six cycles, the adsorption capacities of H-SBBC for toluene and p-xylene remained above 85%, demonstrating good regeneration performance and high potential for industrial applications.

A numerical model for mass transfer in micropores was established based on the lattice Boltzmann method (LBM). The physical models of the microporous layer (MPL) in the proton exchange membrane fuel cell (PEMFC) were reconstructed using different structural parameters, and the gas transfer property was simulated. The results show that the effective oxygen diffusion coefficient in the MPL decreases as porosity decreases from 80% to 40%, with resistance due to Knudsen diffusion increasing from 51% to 83%. Assuming a constant MPL porosity, the effective diffusion coefficient increases with PTFE mass fraction; however, assuming a constant total number of carbon lattices, the effective diffusion coefficient decreases with increasing PTFE mass fraction due to the reduced porosity. The effective diffusion coefficient of the MPL increases with the radius of the carbon spheres and decreases with an increasing carbon seed fraction. Moreover, a mass transfer and reaction coupling simulation was conducted by combining MPLs of different porosities with the cathode catalyst layer (CL). The results indicate that as MPL porosity decreases, the oxygen concentration in the ionomer of the CL decreases by 1.7%, and the water content increases by 2.7%. Increased gas transfer resistance in the MPL has the effect of hindering reactant gas transfer and increasing relative humidity within the micropores. These findings provide theoretical guidance for the design and utilization of MPLs in PEMFCs.

Zeolites confined catalysts have become a research hotspot in propane dehydrogenation to propene in recent years due to their high selectivity, high metal dispersion, and high sintering resistance. In this paper, the advances on the synthesis strategies of Pt-M@zeolites catalysts are systematically reviewed from the perspectives of in situ synthesis and post-synthesis. The nano-sized effect of confined metal, additives modulation and the catalytic mechanism between the metal clusters interaction and the zeolite framework in each catalyst are explored in detail. In addition, the problems of this two types of synthesis strategies, such as low encapsulation efficiency, unclear encapsulation mechanism, environmental unfriendly synthesis, agglomeration of active sites and poor stability after regeneration, are analyzed. Finally, the solutions for accurate design and controllable synthesis of high-stable Pt-M@zeolites catalysts are proposed from the aspects of developing advanced in situ characterization techniques to explore the packaging mechanism and determine the fine structure of the active site, developing green and efficient synthesis strategies to enhance the interactions between metals and zeolites, as well as developing mild catalyst regeneration conditions, respectively.

Electrodialysis, as a green separation technology, is widely applied in water treatment and strategic element extraction fields. The ion exchange membrane, serving as the core of the electrodialysis apparatus, controls ion transport and selective separation processes. However, membrane fouling limits the ion exchange capacity, selective separation performance, and stability of the ion exchange membranes, leading to a decrease in membrane lifespan, increased operational costs, and other issues. These challenges are critical constraints on the widespread application of electrodialysis. This paper systematically reviews the causes, main types, and mechanisms of ion exchange membrane fouling, as well as cutting-edge research on control strategies. It particularly discusses the pollution mechanisms of inorganic scaling, pollution of organics and colloids, and biofouling. The paper explores optimization of operational parameters, modifications of membrane surface materials, and enhancements in pretreatment as strategies to control membrane fouling. It aimes to provide theoretical guidance for the development of intelligent membrane fouling monitoring and prevention systems.

Taking the tail gas incinerator of a refinery plant as the research object, the effects of the distribution ratio of primary and secondary air, the jet velocity of secondary air and the degree of dispersion of secondary air on the formation of MILD combustion, combustion characteristics and NO _x generation in the chamber of the incinerator are investigated by means of numerical simulation. Numerical simulation results show that reducing the proportion of primary air and increasing the jet velocity of secondary air contribute to the formation of MILD combustion under the condition of constant total air flow. When the primary air volume is gradually changed from fuel-poor combustion to fuel-rich combustion, the transition from conventional combustion to MILD combustion can be realized, and the NO _x generated from combustion is significantly reduced in this process. Increasing the jet velocity of the secondary air is conducive to strengthening the entrainment of the flue gas and the uniform distribution of the fuel/air mixture, expanding the range of combustion reaction, making the temperature distribution in the furnace chamber more uniform, and effectively reducing the NO _x emission at the outlet. The formation and stabilization of MILD combustion can be promoted at higher secondary air jet velocities. Appropriately increasing the degree of secondary air dispersion within the simulation range expands the secondary air jet entrainment range, allowing combustion to take place in a larger area, which is conducive to stabilizing combustion and further reducing NO _x emissions.

The pulsating heat pipe is a high-efficiency heat transfer element that is applied in electronic components cooling, energy utilization, etc. Many factors affect its start-up and operation characteristics, such as structure, work material, liquid filling rate, etc. The purpose of this paper was to achieve the asymmetric and staggered structure of pulsating heat pipe by adjusting the length of the local pipeline in the structure of the pulsating heat pipe. At the same time, the pulsating heat pipe heat exchanger device with the corresponding asymmetric structure was designed. Through experiments at 60℃ heat source and different liquid filling rates, the pulsating heat pipe with asymmetric structure was researched. The results showed that the lowest start-up vibration heat source temperature of the pulsating heat pipe rose with the increase of the liquid filling rate. Under very low and high liquid filling rate, the pulsating heat pipe was not easy to start and sustain oscillation phenomenon, and oscillation flow frequency and energy intensity were lower. Under lower liquid filling rate, an effective workpiece movement could not form in the tube due to less workpiece. Under higher liquid filling rate, liquid mass was too much, mass running resistance was larger, and oscillation flow was not easy to circulate in the tube; the temperature difference between pulsating heat pipe evaporation section and condensing section was larger, being more than 15℃, and thermal resistance was larger, with lower equivalent coefficient of thermal conductivity and poor heat transfer performance. In 30% liquid filling rate and 50% liquid filling rate, the temperature difference between both ends of the pulsating heat pipe was smaller, being about 3℃, the thermal resistance was smaller, the equivalent thermal conductivity was higher, the pulsating heat pipe was more likely to achieve isothermal heat transfer, and the optimal liquid filling rate was about 50%.

The fine particles suspended in industrial wastewater are not only the main pollutants themselves, but also easily provide attachment sites for other forms of pollutants. For the removal of fine particles in industrial wastewater treatment, deep filtration based on microchannel separation meets the requirements of separation accuracy and has a high upper limit of pollutant accommodation. It has obvious advantages of high efficiency and stability, long operation cycle and low cost. However, the operating performance of the deep filtration process is often affected by many factors. Unreasonable bed structure design is likely to cause deterioration of effluent quality and high operating energy consumption. In this paper, a multi-layer structure bed was designed by using non-single medium, and the combination of micro-channels in each layer was used to form a micro-channel different from any single medium. At the same time, relevant equipment was built and batch tests were carried out. The results showed that the proposed multi-medium stratified bed control improvement scheme reduced the total bed height to 2/3 of the original height, the separation effect was not significantly reduced, and the total pressure drop was reduced to 33% before the improvement. Compared with the single medium bed, the filtration energy consumption was reduced by 25%, the bed at all levels was closer to the upper limit state, and the useless work loss in the backwashing process was reduced. The control method could significantly reduce the energy consumption of the equipment during the whole operation cycle. Therefore, the improvement scheme of using multi-medium to design layered bed to regulate the microchannel structure in the bed was helpful to improve the operation performance of deep filtration equipment and make it more economical and lightweight.

Accelerating the development of China's process manufacturing industrial software through open-source innovation has emerged as a critical national strategic priority. This initiative, however, confronts dual challenges: securing the open-source supply chain against potential risks when leveraging existing resources and cultivating a sustainable open-source ecosystem through global collaboration. This paper systematically examined core concepts of open-source software, open-source ecosystem and licensing, while identifying vulnerabilities inherent in open-source supply chains. Through a case analysis of chemical process simulation software, it evaluated global open-source advancements and governance frameworks across three technical domains: molecular simulation, computational fluid dynamics and industrial-scale process modeling. Comparative insights were drawn from India's national open-source education programs and the collaborative open-source practices of multinational energy/chemical corporations. Building on this analysis, the study proposed a "321" Open-Source Innovation Ecosystem Framework, structured around three pillars: foundational capability enhancement, industry-academia-government collaboration and integrated security protocols. Specific implementation priorities and strategic approaches were delineated across four operational tiers: governmental policymaking, industry alliance coordination, corporate implementation and academic research. This research provided a strategic roadmap for China to transition from technological emulation to co-innovation and eventual global leadership in process manufacturing software, offering evidence-based recommendations for open-source strategy formulation and execution.

Utilizing renewable energy for the electrolysis of water to produce "green hydrogen" for the synthesis of ammonia, methanol, and other chemical productions is a key measure in the low-carbon transformation of the chemical industry. Process Systems Engineering (PSE) comprises a range of tools, including Computational Fluid Dynamics (CFD), Process Simulation, Optimization, and Control, which have been extensively utilized in the research and optimization of traditional chemical industries. These tools are equally capable of optimizing the operation, enhancing efficiency and improving economic performance in the green hydrogen chemical sector. The unique challenges and operational characteristics of green hydrogen chemistry can be addressed by applying the principles of PSE. A substantial corpus of research have validated the efficacy of PSE methodologies in tackling the novel challenges and operational traits of green hydrogen chemistry. Therefore, this article presents a systematic review of the advancements in green hydrogen chemistry from the perspective of PSE. This paper first overviews the technical status of the electrolytic hydrogen production section in green hydrogen chemistry, and then sorts out different green hydrogen downstream process routes, followed by sorting out the various tools applied in green hydrogen chemistry and their characteristics from the perspective of process system engineering. Subsequently, it sorts out the development and application of process system engineering in green hydrogen chemistry against the backdrop of artificial intelligence development. Finally, it looks forward to the development direction of process system engineering technology promoting green hydrogen chemistry and proposes the direction of promotion for the progress and transformation of related technologies by artificial intelligence.

This paper focuses on conducting microscopic-level reaction molecular dynamics simulations of the thermal decomposition and reduction system of trichlorosilane in a hydrogen atmosphere involved in the chemical vapor deposition process of polysilicon production. It qualitatively and quantitatively investigates the influence of the quantity ratio of reactants H₂ and hydrogen radicals H·on the microscopic action mechanism of the reaction process. Additionally, it comparatively analyzes the dynamic evolution and main transformation paths of reactants SiHCl₃, H₂, and H·, as well as intermediates HCl, SiH₂Cl₂, and SiH₄ in different reaction systems, providing fundamental theoretical support for the process improvement of the chemical vapor deposition process of polysilicon. The simulation results indicate that the reactivity of H· in the reaction system is significantly higher than that of H₂. The introduction of H· can noticeably accelerate the thermal decomposition and reduction processes of SiHCl₃ molecules in a hydrogen atmosphere. Specifically, the larger the quantity ratio of H· to H₂ added to the initial reaction system, the greater the number of SiHCl₃ molecules that are transformed when reaching reaction equilibrium. The production amount of intermediate HCl molecules is positively correlated with the quantity of H· added to the initial reaction system. An appropriate amount of H· can prompt SiHCl₃ molecules to form monohydrogenated species, while excessive H· promotes the formation of polyhydrogenated species. When the reaction temperature of the actual reaction system is set at 1000K and the quantity ratio of SiHCl₃ to H₂ is set at 1∶1, it is conducive to the formation of the byproduct SiH₂Cl₂. To obtain the intermediate SiH₄ at a relatively lower reaction temperature (1000K), the quantity ratio of SiHCl₃ to H₂ needs to be at least greater than 1∶1. Increasing the content of H₂ in the reaction system is beneficial for enhancing the yield of the intermediate SiH₄.

Dry reforming of methane (DRM) is an effective approach to convert two greenhouse gases of CH₄ and CO₂ into syngas. However, catalysts are prone to carbon deposition or sintering deactivation during the reaction process, so design of efficient and stable catalysts is the key to realize the industrial application of DRM. This paper mainly summarized recent progress of anti-carbon deposition Ni-based catalysts for DRM. Firstly, the anti-carbon deposition strategy of Ni-based catalysts was analyzed from the limitations of traditional catalysts. Secondly, the synergistic mechanism of bimetallic catalysts, the design strategies and advantages of catalysts with different structures, as well as the anti-carbon deposition mechanism were discussed in detail. And the causes of carbon deposition in catalyst and the control methods were analyzed. Finally, current research status of DRM was summarized and outlooked, and the possible future directions of DRM research were discussed, such as the development of more diversified alloy catalysts or high entropy alloy catalysts, and the stability testing for longer time. This paper is intended to provide a reference for the design of anti-deactivation catalysts for DRM.

The adhesion performance of recycled asphalt binder and aggregate interfaces as well as the influence mechanisms of bio-rejuvenators on aged asphalt was investigated through molecular dynamics simulations. Models of aged asphalt and asphalt rejuvenated with 2% cashew shell oil and 2% tall oil were constructed. A limestone aggregate model was further developed and direct tensile simulations were conducted to calculate the interaction energy at the asphalt-aggregate interface, characterizing the adhesion performance. Additionally, mean square displacement and relative concentration were used to explain the diffusion behavior of asphalt molecules at the interface and the improvement mechanisms of bio-rejuvenators. The results showed that cashew shell oil improved the adhesion performance by approximately 32%, primarily through π-π stacking interactions and the polarity of phenolic groups, which reduced the aggregation of aged asphalt. Tall oil enhanced adhesion by about 17%, improving the dispersion of aged asphalt molecules through the depolymerization effect of its molecular branched structure. This study innovatively combined interface tensile simulations with bio-rejuvenators, systematically revealing the influence of bio-rejuvenators on the asphalt-aggregate interface adhesion. The findings provided theoretical support for optimizing the adhesion performance at the asphalt-aggregate interface and for the application of bio-rejuvenators in asphalt, offering important guidance for cross-scale studies on asphalt-aggregate interface performance in pavement engineering.

Energy and chemical engineering is a crucial industry that transforms primary energy sources such as oil and coal into secondary energy and chemical products, supporting national economic development and strategic security. Currently, this sector is undergoing profound changes driven by the need for low-carbon, intelligent, and sustainable development. This review systematically summarizes the advancements and key technologies in the decarbonization of traditional energy and the practical application of low-carbon energy. In the context of traditional energy decarbonization, the development of efficient processes is promoted through precise characterization of energy molecules and modeling of conversion processes, alongside directional catalytic conversion technologies for the green transformation of fossil fuels. In addition, the progress and application of long-duration, large-scale energy storage technologies are explored to enhance the utilization of renewable energy and support the construction of low-carbon energy systems. The application of intelligent technologies in optimizing energy storage performance, exemplified by flow batteries, is also discussed. Furthermore, the development of new catalytic reaction mechanisms and process equipment based on electromagnetic energy supply and multi-physical field coupling technologies fosters a deep integration of decarbonization and intelligence in traditional energy. Ultimately, the review concludes by envisioning the future of "energy and chemical engineering+artificial intelligence," advocating for a collaborative approach to advance low-carbon and intelligent transformations across molecular, process, equipment, and system optimization levels and integrating Chain-of-Thought-driven reasoning-oriented large language models, aiming for a more efficient and greener energy system to address global climate change and resource scarcity challenges.

Stress softening of rubber materials refers to the phenomenon of stress reduction after multiple cycles of loading (tension-recovery). This phenomenon is a critical factor affecting the effectiveness of related engineering applications and engineering safety. The present study investigated the stress softening phenomenon of styrene-butadiene rubber materials by using all-atoms molecular dynamics simulations. The study explored and summarized the microscopic features and critical factors of stress softening from the molecular scale. The results indicated that the stress softening of styrene-butadiene rubber was determined by interchain interactions. The total kinetic and potential energy distributions of macromolecules were critical for the characterization of interchain interactions. Styrene group units played a dominant role in the total kinetic energy distribution and the total potential energy distribution of SBR,due to the presence in the SBR molecule as side-branched chains and the large size. The butenyl group units exerted a significant influence on the total kinetic energy distribution. However, its impact on the total potential energy distribution was negligible. In contrast, the vinyl group unit played a negligible role in both the total kinetic energy and total potential energy distributions. At the same strain, the free volume in the system increased with the number of cyclic strains and gradually formed concentrated and continuous cavities. These cavities were important microstructural features of the stress softening phenomenon.

Due to ever-increasing energy crisis and environmental issues, the development of efficient and environmentally friendly catalytic technologies becomes a major research area. Plasma (containing highly energetic species) has shown significant potential in fields of catalysis and environmental protection. This review provided a comprehensive analysis of the state-of-the-arts on dielectric barrier discharge (DBD) plasma catalytic reactors, especially their contributions to process intensification of catalytic reactions with advantages such as reducing reaction activation energy and creating new reaction pathways. Based on the critical comparative review of different cases of conventional DBD reactors, coupled plasma-structured catalyst reactors, coupled plasma-separation reactors, coupled plasma-fluidized bed reactors and other new reactor designs, the uniqueness of different DBD systems was identified. In detail, structured catalysts significantly improved mass and heat transfer, separation-coupled reactors achieved efficient product separation and fluidized beds exhibited excellent processing capability for specific reactions. Additionally, relevant challenges existing in the field and possible future research directions were discussed and proposed for progressing the plasma technology for practical adoptions in the future.

Over the past forty years, supercritical fluid (SCF) technology has made significant progress in both fundamental research and engineering applications. In recent years, SCF technology, as a green, clean and efficient technology, has successfully applied in many fields such as extraction, separation, chemical reaction, materials preparation and drying. In addition, it has also showed potential applications in spraying, waterless dyeing, power and extractions of oils and gases. SCF technology is expected to play an important role in realizing the national "dual carbon" strategy. The SCF that most commonly used is carbon dioxide (CO₂), which is also the best use of CO₂. SCF spraying technology can realize low or no emissions of volatile organic compounds (VOCs), and reduce or avoid the use of organic solvents; SCF waterless dyeing technology can decrease the discharge of dye-containing waste water and save water resources; The scCO₂ fracturing technology can facilitate CO₂ sequestration and enhance shale gas extraction; SCF foaming technology can produce lightweight functional polyester materials; SCF drying technology can retain the original structure and shape of the material to the maximum extent. Additionally, supercritical CO₂ power generation technology can improve the current state of thermal power generation. Under the background of dual carbon, to promote the enthusiasm of academia and industry in China for SCF technology research and development, this paper summarized the new SCF technologies in various fields, their current application status, and development prospects, and points out the key directions for SCF technology applications in different fields.

This paper advances a system framework for coupling electricity and hydrogen and delineates an industrial transition pathway for China in pursuit of carbon neutrality. Anchored in the principle of "electricity for energy and hydrogen for materials", electricity is prioritized for high-temperature, strongly endothermic, and performance-critical operations (e.g., steam cracking, dehydrogenation, reforming). Electrified hydrocarbon cracking establishes an "e-olefin-H₂" pathway that co-produces olefins and low-carbon hydrogen, serving as a key enabler of emissions abatement in refining, steel, and ammonia while accelerating iteration and scale-up across the hydrogen value chain. Leveraging the Xinjiang-Inner Mongolia-Bohai Bay green-industrial corridor and associated long-distance power-export patterns, the pathway begins with direct connection to green power coupled with by-product hydrogen and then expands to cross-sector mitigation supported by a dedicated hydrogen pipeline network. Coordinated operation of the power, hydrogen, and natural-gas systems enables low-carbon peak-shaving and facilitates coal-power decarbonization. The study further assesses liquid-hydrogen-enabled superconducting co-transport and an integrated "power-hydrogen-cold" paradigm, whereby cryogenic exergy recovery can reconfigure cryogenic separations in ethylene and ammonia. On the policy side, a coherent constraint-incentive package is proposed-comprising green-power access and certificates, hydrogen taxonomy and pricing, carbon markets, and carbon capture, utilization, and storage (CCUS)-together with a sequenced sectoral transition (refining-ammonia-steel-cement-coal power) and the requisite infrastructure portfolio. The proposed pathway enhances system resilience and cost discipline, strengthens the low-carbon competitiveness of China's legacy industrial base, and yields spillover benefits for the East Asian refining landscape, providing an actionable, integrated technology-policy framework for deep industrial decarbonization.

In this study, iron-based nitrogen-deficient three-dimensional carbon nitride catalysts [Fe(Ⅲ)/3D CN-Nv] with varying loadings were synthesized via a thermal shrinkage polymerization impregnation method. A photocatalytic self-Fenton system was constructed by coupling photocatalysis with Fenton technology for the efficient degradation of recalcitrant tetracycline hydrochloride pollutants. The results demonstrated that under visible light irradiation, the 1.5% Fe(Ⅲ)/3D CN-Nv catalyst achieved a 75.8% removal efficiency within 60min, which was 5 times higher than that of bulk g-C₃N₄ and 1.8 times higher than the catalyst without Fe(Ⅲ) impregnation. The enhanced performance was attributed to the formation of Fe-N bonds within the triazine ring structure, facilitating electron transfer from Fe³⁺ to Fe²⁺ and improving the separation efficiency of photogenerated electrons. Additionally, the system generated H₂O₂insitu under visible light, which reacted with Fe²⁺ to produce hydroxyl radicals (·OH) for efficient pollutant degradation. The reaction conditions were optimized by investigating the effects of pH and Fe loading, and the primary reactive species responsible for tetracycline degradation were identified. This photocatalytic Fenton system demonstrates significant potential for applications in environmental remediation.

Blending inferior gas oil into hydrocracking feedstock not only achieves efficient utilization of inferior gas oil, but also expands the source of feedstock for hydrocracking units, while it is really a tremendous challenge to realize ultra-deep hydrodenitrogenation (HDN) for inferior gas oil. This paper made deep analysis of the basic properties, distributions and molecular structure of nitrogen compounds in three gas oil, including straight-run VGO (SR-VGO), ebullated-bed VGO (EB-VGO) and slurry-bed VGO (SB-VGO). The results showed that nitrogen content and aromatics content of SB-VGO, especially for three-ring and four-ring PAHs, were higher than SR-VGO and EB-VGO. But the distribution and molecule structure of nitrogen compounds were similar in those three gas oil. More specifically, basic nitrogen had DBE values between 9 and 16, while DBE values of non-basic nitrogen were concentrated in 9, 10, 12 and 13. The HDN difficulty decreased in this order: SB-VGO > EB-VGO > SR-VGO. And compared to non-basic nitrogen, basic nitrogen was facile to remove during the hydrotreating process. When total nitrogen was reduced to around 100μg/g, the remaining nitrogen species were mainly neutral with DBE values of 10—14 and carbon numbers of 19—29.

The structured packing is extensively utilized in gas-liquid separation processes due to its ability to provide a high specific surface area and a low pressure drop. The performance of the structured packing depends on the local gas-liquid distribution, and the perforation has a significant impact on the gas-liquid flow inside the packings. However, the influence of perforation on liquid flow of corrugated plate is often ignored in previous studies. In this study, a gas-liquid two-phase flow CFD model was established under the framework of VOF. The microscale flow of the CO₂ absorbent on the surface of corrugated plate of structured packing in the absorption tower of Huaneng Zhengning 1.5×10⁶t/a carbon capture project was simulated, and the hydrodynamics of typical absorbents on the corrugated plate in the presence of perforations were discussed. The simulations revealed that when the spray density was 20m³/(m²·h), the existence of perforation led to rivulet flow separation and droplet formation, but had little effect on liquid holdup and interfacial area. The liquid maintained a steady rivulet flow along the channels in the absence of perforations, while the liquid flowed in the form of droplets in the presence of perforations. Remarkably, the physical properties of absorbents exerted a significant impact on the liquid flow morphology. The decrease of Ka (i.e., the surface tension decreased or the viscosity increased) resulted in an increase in the time required for the flow to reach the steady state, liquid hold, interfacial area, and wetting area. The influence of contact angle (i.e., the surface texture of the corrugated plate) was effectively studied by modifying the wall boundary conditions. The flow morphology of the 30%MEA on the corrugated plate with perforations transitioned from droplet flow to rivulet flow and finally to film flow as the contact angle decreased. In addition, at a contact angle of 20°, the interfacial area predicted by simulation was consistent with that predicted by the Olujic model, whereas the predicted holdup was marginally lower than that suggested by Billet-Schultes model, yet the overall trend was relatively consistent.

Owing to its high refueling efficiency, the battery-swapping mode for new-energy heavy-duty trucks is rapidly becoming a key pathway for the low-carbon transformation of road freight transport. This paper systematically reviewed the current research on scheduling optimization for battery swapping focusing on modeling techniques and solution approaches. Studies showed that optimization models must balance economic benefits, swapping efficiency or power stability while accommodating multiple constraints such as physical resources, spatiotemporal matching, operational protocols and demand fluctuations. Dynamic aspects, including queue-length reduction, peak-load shifting and time-of-use pricing, were handled via rolling-horizon optimization, dynamic charging-power adjustment and demand-response mechanisms. Regarding solution methodologies, exact mathematical programming exceled in optimality yet suffered from computational complexity; heuristic algorithms scaled well for large-scale problems but lacked optimality guarantees; reinforcement learning demonstrates promised in dynamic settings through sequential decision-making, although safety constraints still required reinforcement. In practice, hybrid algorithms tailored to the problem's characteristics were recommended.

Microscopic particles are not only the main cause of haze but also can carry toxic substances that can be adsorbed into the human lungs, posing a threat to human health. Heterogeneous condensation technology, considered as one of the most promising dust removal technologies, effectively enhances the efficiency of gas-solid separation by forming a liquid film on the particle surface. However, the collision and coalescence mechanisms of micrometer-level wet particles are not yet fully understood. Therefore, this study focused on micrometer-level condensable wet particles and established a model that integrates two-phase flow, continuous surface tension, and overlapping grids to investigate the dynamic changes of particles and liquid bridges during the collision process. By analyzing the effects of surface tension coefficient, liquid film thickness, and relative velocity before collision on particle collision behavior, the study summarized the laws of particle dynamics during collision and the energy dissipation situation, providing a theoretical basis for improving the aggregation effect of wet particles and enhancing dust removal performance. The results indicated that in normal collisions, wet particles followed a motion pattern of liquid film deformation, rebound, coalescence, or separation. Moreover, reducing the surface tension coefficient and liquid film thickness while increasing collision velocity led to an increase in the height of the liquid bridge. As for energy dissipation, pressure resistance and energy loss caused by surface tension were the dominant factors, while energy loss due to viscous resistance can be neglected.

Construction of smart factory is an important channel to improve the level of intelligent manufacturing in manufacturing industry, and it is also the main direction for realizing the strategy of “Made in China 2025”. After nearly ten years of development, driven by the national industrial policy and the enterprises' own development needs, a large number cases of intelligent manufacturing pilot demonstrations, new models of intelligent manufacturing and digital workshops have been built in various regions. The manufacturing industry has made significant improvements in automation, informatization enhancement and intelligent leadership. However, as intelligent manufacturing enters the deep water zone, problems such as data islands, integration difficulties, personal demand, and value creation gradually become prominent, which has become the bottleneck restricting the construction of a smart factory. Thus, there is still a long way to build a “real” smart factory widely recognized by enterprises. The continuous innovation and development of industrial internet, artificial intelligence, automated control, industrial software and other technologies has provided more possibilities for the construction of smart factory. This paper proposed a new architecture for process industry smart factory construction: 1+2+N (1 factory operating system +2 automations +N industrial APPs), in order to help enterprises solve the bottleneck problems encountered in the construction of smart factories, guide enterprises to make better use of new technology and business integration innovation, and achieve a new paradigm of enterprise production independent operation and enterprise management excellent operation of smart factory. At the same time, this paper verified this new architecture in a chemical enterprise smart factory construction project. Looking forward to the future, with the development of technology and the continuous maturity of products, we hope that this architecture can be more widely recognized and adopted by the industry, and become a new standard of the construction architecture for smart factory in process industry.

Hydrogen energy is an ideal energy carrier to promote the transformation of energy structure, and water electrolysis is an important means to achieve large scale hydrogen production. Alkaline water electrolysis has commercial feasibility because of its mature technology, low cost and small pollution. The catalytic activity, stability and cost of catalysts are the key factors in the development of alkaline water electrolysis technology. Herein, the research progress of catalysts for alkaline hydrogen evolution, including noble metals, transition metals, and carbon-based materials, is summarized. This paper analyzes the influence of the currently applied major optimization strategies on catalyst intrinsic activity, and the results show that the improvement of catalyst performance benefits from the comprehensive regulation and control of various factors, such as morphology, electronic orbit, lattice structure and support. According to the existing issues, the future research direction and development prospect of hydrogen evolution catalyst are proposed from the aspects of preparation technology, catalyst morphology and structure, and optimization of intrinsic properties.

With the rapid development of industrialization, the problem of environmental pollution has become increasingly prominent. Oily sewage has attracted much attention because of its wide source, large processing capacity and difficult treatment. Due to its wide range of sources and complex components, it poses a great threat to the ecological environment and human health. For this kind of oily wastewater, the traditional treatment methods have the disadvantages of non-recyclable materials, high energy consumption and easy to cause secondary pollution. In view of the above problems, the development of efficient, convenient and environmentally friendly oil-water separation materials has become a key research direction in the field of oil-water separation. Inspired by the phenomenon of superwetting in nature, SA/TiO₂ composite porous materials were prepared by directional freezing/freeze-drying and ion crosslinking with sodium alginate as the substrate and titanium dioxide nanoparticles as heterogeneous reinforcements. The physical properties, chemical properties and microstructure of ST composite porous materials and their application in oil-water separation were analyzed. The addition of TiO₂ nanoparticles constructed a micro-nano rough structure on the surface of ST porous material, which can form a solid-water phase composite oil repellency. The contact area between oil and ST composite porous material was reduced. The oil-water separation efficiency of ST composite porous materials for different oils was more than 99.6%, and it was efficient and reusable in any environment, which had broad application prospects in the field of oil-water separation.

In the face of the severe situation of global climate change, the green transformation of the shipping industry is imminent. As two new types of marine fuels, green methanol and green ammonia play an increasingly important role in the decarbonization process of the shipping industry. This paper analyses the potential of green methanol and green ammonia in promoting the development of green and low-carbon transition in shipping from the dimensions of production capacity, market demand, production technology and industrial layout. Green methanol is more suitable as an alternative fuel for shipping at this stage due to its mature engine technology, while green ammonia's zero-carbon attribute makes it an ideal choice for long-term emission reduction in the shipping industry.

Using polyethyleneimine (PEI) as a morphological control agent, methanol as a dispersant, calcium hydroxide solution and CO₂ as raw materials, the preparation of spheroidal nano-calcium carbonate was investigated via a high gravity-microinterface method. The size of gas bubbles within the reactor was analyzed using a high-speed camera. The effects of reaction temperature, CO₂ flow rate, concentration of calcium hydroxide solution, volume fraction of methanol, and amount of PEI added on the morphology of the calcium carbonate product were investigated. An orthogonal experimental design was used to optimize the carbonation reaction conditions of calcium hydroxide. The morphology of the reaction products was characterized using SEM, XRD, and FTIR analytical methods. The results demonstrated that the high gravity-microinterface carbonation reactor effectively transformed CO₂ bubbles from millimeter scale to micrometer scale, enlarging the gas-liquid interfacial area and enhancing mass transfer between phases. The optimal conditions for the carbonation reaction of calcium hydroxide with CO₂ were found to be a calcium hydroxide concentration of 8%, a PEI addition of 4% by mass of calcium hydroxide, a methanol volume fraction of 20%, a CO₂ flow rate of 2.5L/min, and 12℃. Under these conditions, the prepared spheroidal nano-calcium carbonate particles ranged in size from 40nm to 60nm.

Direct methanol fuel cells (DMFCs) are energy conversion devices that directly use liquid methanol as fuel and convert the chemical energy of methanol into electrical energy. They have significant advantages, such as high energy conversion efficiency, low cost, and convenient storage and transportation. In this paper, based on the mechanism of electrocatalytic methanol oxidation reaction (MOR), the research progress of electrocatalytic MOR over Pt single crystal and Pt-based alloy catalysts is systematically reviewed. The influence of structure and properties of Pt-based catalysts on its electrochemical performance is summarized. Typical preparation methods of Pt-based electrocatalysts are described. It is found that the intermediate species CO_ads produced during the methanol oxidation process have high adsorption energy and reaction activation energy on the surface of Pt active sites, which leads to a decrease in the overall performance of the Pt catalysts. In addition, the possible electrocatalytic oxidation paths of methanol are analyzed. The idea of improving CO_ads poisoned Pt catalysts by regulating the methanol dehydrogenation step is proposed, which provides necessary theoretical support for optimizing the microstructure of Pt-based catalysts and analyzing the microscopic mechanism of MOR, and laies a theoretical foundation for promoting the large-scale application of DMFCs.

Hydrocracking is an important process for directional conversion of the polycyclic aromatic hydrocarbons (PAHs) in catalytic diesel into high value-added monocyclic aromatic compounds, which shows the features of simpler process, energy conservation and lower cost than thermal cracking process. This article reviews research progress on bifunctional catalysts for the hydrocracking reactions of PAHs to high-value chemicals (BTX, benzene, toluene and xylene). The effects of active metal components and acidic supports on the catalytic performance are discussed first. Transition metal sulfides, phosphides, carbides and nitrides catalysts exhibit high hydrogenation activity similar to noble metals. The combination of noble and transition metals or the use of transition bimetals not only exhibit superior hydrogenation activity and selectivity, but also saves the cost. The hierarchical silica-aluminum zeolites, modified mesoporous zeolites and the micro-mesoporous composites of acidic zeolites and silica are considered as the highly concerned support for hydrocracking catalysts as they possess acidic sites for the skeleton cracking of reactant molecules, and pore structure properties facilitating the diffusion and mass transfer. The effects of metal-acid equilibrium and synergism on product selectivity are also discussed, and the metal-acid sites at near nanoscale possess optimal bifunctional synergism. Finally, the influence of different catalyst loading methods on metal particle size, dispersion and catalyst structure and performance are explored. The highly dispersed metal nanoparticles are crucial to the preparation of efficient hydrocracking catalysts and the selectivity of target products.

Sodium percarbonate (SPC, Na₂CO₃·1.5H₂O₂), known as solid hydrogen peroxide, has garnered increasing attention in recent years. In this study, a nanotubular cobalt-nitrogen-carbon catalyst (Co-N-C) with abundant active sites was prepared using a simple method and utilized to activate SPC for the effective removal of tetracycline (TC). The morphology of the material was characterized using transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The elemental distribution and valence state changes were analyzed using X-ray powder diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). The characterization results indicated that a nanotubular Co-N-C with abundant active sites was successfully synthesized. Under the conditions of a TC concentration of 10mg/L, SPC concentration of 2mmol/L, Co-N-C content of 0.2g/L and pH of 7, nearly 100% degradation of TC was achieved within 20 minutes. Radical quenching experiments and electron paramagnetic resonance (EPR) tests revealed that ·OH, ·CO₃^- and ·O₂^- were the primary active species for TC degradation in the Co-N-C/SPC system. Changes in the valence state of cobalt before and after the reaction, as well as the Co²⁺/Co³⁺ cycling process, facilitated the activation of SPC, and three-dimensional fluorescence spectroscopy analysis indicated that TC was degraded in the Co-N-C/SPC system.

To meet the demand for high specific capacity and low-cost electrochemical energy storage materials in new energy generation technology, this paper utilized techniques such as quantum mechanics, molecular dynamics calculations, and electrochemical analysis testing to investigate the adaptability of petroleum coke based sodium ion battery anodes which were developed in the author's laboratory to electrolytes. The petroleum coke based anode materials developed in the laboratory had significant amorphous carbon structural characteristics, which contributed to the insertion/extraction of Na⁺. The charge and discharge tests were completed within the range of 0.01—2.5V. In the first charge discharge cycle, the specific discharge capacities of ester and ether electrolytes were 406.00mAh/g and 381.91mAh/g, with coulombic efficiencies of 85.04% and 90.42%, respectively. In the range of (0.1—3)C, ether electrolytes had better battery magnification performance. Compared to ester electrolytes, ether electrolytes had a higher LUMO energy level and better reduction stability, therefore it was easier for ether to form a thin and stable SEI film on the electrode surface, which helped to reduce the migration impedance of Na⁺. In addition, in the bulk electrolyte, the migration rate of Na⁺ in ether electrolytes was about twice that of ester electrolytes. The infrared and Raman spectroscopy results of the electrolyte indicated that compared with ester electrolytes, PF₆^- in ether electrolytes was more likely to enter the solvated shell and form coordination with Na⁺, which was related to the weak solvation characteristics of ether solvents. The sodium storage behavior of petroleum coke based cathodes in typical electrolytes were analyzed systematically in this study, which helped to promote the application of petroleum coke based anodes and provided theoretical and experimental basis for the development of low-cost, high specific capacity sodium ion battery technology.

Phase change materials (PCMs) can release and absorb latent energy through the phase change process, which has many applications in the field of temperature control and heat storage such as building energy conservation, solar energy storage, textile and other daily aspects. Most PCMs have problems of low thermal conductivity and leakage, and thus encapsulation is necessary for shape-stable and heat transfer enhancement. At present, microencapsulation and porous encapsulation are commonly used due to microencapsulation can build a relatively isolated system to prevent leakage and has a large specific surface area. And encapsulation by porous support has high energy storage density and utilization efficiency. This paper reviewed the structural characteristics and applicable types of the two methods, introduced the specific preparation methods and research progress of the encapsulation technologies such as spray drying, in-situ polymerization, complex coacervation, sol-gel, direct impregnation, vacuum adsorption and in-situ assembly. Besides, the paper briefly described the characteristics and progress of nanofiber encapsulation and solid-solid PCMs encapsulation. Finally, the evaluation contents and methods of shape stabilized phase change energy storage materials (SSPCMs) were summarized. Different methods had advantages and disadvantages in reducing leakage rate, increasing stability and improving thermal conductivity and storage efficiency. The shape-stable improvement and enhanced heat transfer are still the development focus of future PCMs encapsulation. The cost economy, simple process, high energy storage density, suitable phase change temperature and environmentally friendly PCMs would have greater application prospects.

Frequent oil leakage accidents seriously pollute water resources and destroy the ecological environment, and it takes a lot of time, manpower and material resources to treat oily sewage. Thus, it is particularly important to study efficient oil-water separation and adsorption materials. Melamine sponge is an ideal adsorption material because of its high porosity, low density and rich microporous structure, showing excellent adsorption properties and good mechanical and chemical stability. However, due to its amphiphilic properties, which are both hydrophilic and lipophilic, it requires hydrophobic modification to prepare an oleophilic and hydrophobic melamine sponge which can be separated from oil and water. In this paper, the hydrophobic modification methods of melamine sponge were reviewed and the research progress on the oil-water separation performance of modified sponge was summarized. Different modified substances conferred special functions on sponge, such as photothermal conversion performance and flame retardant performance. With the deepening of research, it was imperative to develop green, low-cost and efficient hydrophobic modification methods, and to construct multi-functional modified sponges to adapt to different application scenarios, providing new solutions to address oil pollution problems.

The oily wastewater produced across various sectors poses a grave threat to both the aquatic environment and human health. Concurrently, the extensive application of synthetic polyester fibers has resulted in significant production of waste fibers, leading to substantial environmental pollution that cannot be overlooked. To develop and repurpose waste fiber fabrics, this study employed a simple impregnation technique to effectively deposit polydimethylsiloxane (PDMS) and nano titanium dioxide (TiO₂) onto the surface of polyester (PET) fiber fabrics, thereby creating hydrophobically modified PET fiber fabrics. These were then utilized for the separation of oil-water mixtures, realizing the objective of using waste to manage waste. This research employed scanning electron microscopy, contact angle measurement, Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy to characterize the physicochemical properties of hydrophobically modified PET fabrics, and subsequently evaluated their anti-fouling capabilities, chemical durability and oil-water separation performance. The results indicated that modified PDMS and TiO₂ nanoparticles were successfully immobilized onto the surface of PET fiber fabric, achieving a water contact angle of 142°, thereby imparting anti-fouling and self-cleaning properties along with excellent chemical stability. In addition, when the separation was carried out with a mixture of chloroform and water with a volume ratio of 1∶1, the separation efficiency was up to 98.3% and the flux was up to (16997.27±1499.46)L/(m²·h), and after 10 repetitions of the separation, the separation efficiency was still able to reach more than 95.7% and the flux could still be stabilized at (16551.41±1725.66)L/(m²·h). In summary, the hydrophobic PET fiber fabric exhibited a robust self-cleaning effect, high flux capacity and effective oil-water separation, offering innovative approaches for the reuse of waste fiber fabrics.

As a multi-purpose chemical product and low-carbon clean fuel, the price fluctuations of methanol impact the global chemical industry chain and energy market. However, existing time series forecasting methods fail to capture the non-stationary and high volatility characteristics of methanol prices. In order to accurately predict methanol price in China, this article originally proposes the CEGPT-Price Forecaster for Methanol (CEGPT-PF-M) model based on the first intelligent chemical engineering large language model in China. It first comprehensively integrates more than 2.9 million time series data in the public database from 27 fields related to the methanol market and transfer-trains the baseline CEGPT-PF-M; secondly, this paper applies the maximum mutual information coefficient algorithm to extract data from non-public commercial databases, 10900 index data that are highly related to Chinese methanol price are screened out, a private database is constructed, and the parameters of the CEGPT-PF-M model are fine-tuned based on this database to achieve the best prediction effect on Chinese methanol price; finally, in terms of factor analysis, this article builds an influencing factor index system based on a private database to analyze the impact of exogenous variables on Chinese methanol price from both macro and micro levels. Empirical results show that the accuracy, interpretability, and scalability of the CEGPT-PF-M model in the Chinese methanol price prediction task are significantly more reasonable than existing models. The research conclusions of this article provide a practical reference for methanol producers, coal suppliers, and policymakers, and also provide new perspectives and methods for chemical product price research.