最新刊期

    WANG Qian, REN Zekai, DING Chuanmin, YUAN Qinbo, WU Ailian

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260026
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    摘要:Currently, efficient removal of highly toxic pollutants such as CO is an extremely urgent need, and thermal catalytic CO oxidation has been extensively studied as a cost-effective purification strategy. CeO2 possesses outstanding oxygen storage and release capabilities, abundant surface defect sites and other properties, and is a highly promising carrier material in this field. However, traditional CeO2-based catalysts face challenges of poor stability and low metal utilization rates. Strong metal-support interactions (SMSI) play an exceptional role in enhancing stability of catalysts and metal utilization rates. The CeO2 support was pretreated by urea pyrolysis, and then Pt was loaded onto the support to regulate the SMSI. Pt/CeO2-NX catalysts were characterized by XRD, XPS, H2-TPR and so on, and their catalytic performances for CO oxidation reaction were investigated. The results show that pretreatment increases the number of surface oxygen vacancies on the catalyst surface, enhances the redox performances and strengthens SMSI. Pt/CeO2-N5 exhibits the best catalytic performance, achieving the CO conversion rate of 100% at about 260 ℃, which is about 40 ℃ lower than the complete CO conversion temperature of traditional Pt/CeO2-N0 (without urea).  
    关键词:Pt/CeO2;CO oxidation;strong metal-support interactions   
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    更新时间:2026-06-24

    CAI Yujie, DU Yanfei, LI Zhirui, YU Zhou, DU Jianguo, WANG Yu

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260027
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    摘要:To address the low-carbon transition in high-temperature industries, ammonia has broad application prospects as a zero-carbon fuel, yet its low reactivity restricts its application. Oxygen-enriched combustion, which increases the oxidant (O2) content in the oxidizer, can effectively enhance combustion stability. However, current studies on ammonia-hydrogen premixed swirling flames under high-temperature industrial conditions remain insufficient. Based on a kW-scale industrial swirling combustor experimental platform, combined with Reynolds-averaged simulation and a chemical reactor network model, the effects of air-assisted combustion (oxygen volume fraction of 21%) and oxygen-enriched condition (oxygen volume fraction of 25%) on the flame stabilization and emission characteristics of low-cracking-ratio ammonia-hydrogen premixed swirling flames were investigated. The results show that oxygen-enriched combustion significantly broadens the flame stability limits. As the oxygen content increases, the flame shape changes from a “V” shape to a cylindrical shape. A competitive-inhibition relationship between unburned NH3 and NO in the flue gas is observed, and the synergistic low-emission window shifts forward from an excess air ratio (λ) of approximately 1.2 (oxygen volume fraction of 21%) to λ ≈ 1.1 (oxygen volume fraction of 25%). Numerical simulation results indicate that, compared with air-assisted combustion, oxygen-enriched condition increases the peak OH concentration of the flame by approximately 24%, accelerating ammonia oxidation through reactions such as NH3 + OH ⇌ NH2 + H2O (R278), while suppressing the conversion of NHi intermediates to N2, thereby promoting more reactive nitrogen toward NO formation. The relevant results clarify the mechanism of oxygen-enriched enhancement of ammonia combustion and its emission trade-off relationship, providing theoretical and experimental support for the clean and efficient application of ammonia fuel in high-temperature industries.  
    关键词:ammonia-hydrogen fuel;oxygen-enriched combustion;flame morphology;nitrogen oxides;chemical reactor network   
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    更新时间:2026-06-23

    ZHANG Peng, YU Mingshuang, LI Lei, LI Xinzhe, CUI Mao, LI Dexiang

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20250422
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    摘要:To address the high dechlorination energy consumption and formation of toxic by-products in traditional treatment of waste PVC, the reaction force field molecular dynamics (ReaxFF-MD) method was employed to study the directional gasification mechanism and product regulation rules of PVC in supercritical water. By constructing supercritical water system and steam system the effects of system type, temperature (2700~3300 K) and reaction time (0~1500 ps) on product distribution were revealed. The results show that compared with the steam system, the supercritical water system can significantly enhance PVC decomposition. Increasing temperature further promotes carbon-chain cleavage and dechlorination reactions. At 3300 K, 93.3% ( ratio of the amount of chlorine in HCl to that in PVC) chlorine is removed in the form of chlorine, with no chlorinated hydrocarbons or dioxin-like by-products detects. The reaction exhibits a two-stage pathway: Rapid dechlorination within the first 300 ps, followed by deep carbon-chain cracking and gas formation. In supercritical water system, dissociation of water molecules produces abundant ·OH and ·H, which accelerate PVC bond cleavage and enhance hydrogen formation through radical coupling and water-gas reactions.  
    关键词:PVC;supercritical water gasification;molecular dynamics simulation;reaction mechanism   
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    更新时间:2026-06-18

    LIU Sai, WANG Xiaobo, ZHANG Yunfeng, CHENG Juntao, WANG Ruolei, ZHANG Xin, QIAO Zengjian, MENG Wenjun, WANG Hu, LIU Anxiu, JI Hongguang

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20250488
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    摘要:Methane catalytic combustion is a key method for controlling methane emissions. However, the deactivation of Pd-based catalysts due to sintering under reaction conditions limits their industrial application, and the development of catalysts that combine high catalytic activities with excellent anti-sintering properties is a key challenge in the field. To elucidate the effects of n(Pd)/n(Pt) on the sizes of active species and the catalytic performances of Pd-Pt bimetallic catalysts, Pd-Pt/Al2O3 bimetallic catalysts with varying n(Pd)/n(Pt) were prepared by impregnation method, whilst keeping the total loading amount (mass fraction) of Pd and Pt at 0.46%. The physicochemical properties of the catalysts were investigated by characterization methods such as XRD and N2 adsorption/desorption. The performances of the catalysts for methane catalytic combustion were investigated in a fixed-bed reactor. The results indicate that in the Pd-Pt/Al2O3 bimetallic catalyst with n(Pd)/n(Pt) = 12.2 (Pd-Pt/Al2O3(12.2)), the Pd/Pt species consist of sub-nanometre clusters ranging in size from 0.5 nm to 2.0 nm, and the Pd/Pt species are preferentially located at pentacoordinate AlO5 sites via oxygen-bridge bonds. Pd-Pt/Al2O3(12.2) exhibits both good catalytic activity and stability, with T50 (the reaction temperature at which the methane conversion rate reaches 50%) of 396 °C and deactivation rate of 0.0082%/h.  
    关键词:methane catalytic combustion;Pd-based catalysts;bimetallic catalysts;Pd-Pt interface   
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    更新时间:2026-06-18

    DANG Taoqun, MA Chenyang, WANG Xingbao

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260063
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    摘要:Partially hydrogenated products formed during the hydrogenation of polycyclic aromatic hydrocarbons exhibit good hydrogen-donor capacity and can serve as hydrogen-donor solvents in direct coal liquefaction. With 1-methylnaphthalene as the model compound, single-component hydrogenation of 1-methylnaphthalene and its mixed hydrogenation with naphthalene were carried out over NiMo/γ-Al2O3 catalyst, and corresponding kinetic models were established to investigate the effects of side-chain structures on the hydrogenation behaviors of polycyclic aromatic hydrocarbons. The results indicate that, for 1-methylnaphthalene and its partially hydrogenated products, the hydrogenation pathway corresponding to the aromatic ring on the unsubstituted side has lower activation energy and is therefore more favorable for hydrogenation. In contrast, for the partially hydrogenated products of 1-methylnaphthalene, the aromatic ring connected to the alkyl substituent shows lower adsorption enthalpy and adsorption entropy, thus limiting further hydrogenation.  
    关键词:naphthalene;1-methylnaphthalene;hydrogenation;kinetics;competitive adsorption   
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    更新时间:2026-06-18

    HUANG Jinghao, WU Xinhua, WANG Ruiqi, WANG Lei

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20250500
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    摘要:The synthesis efficiency and quality of multi-walled carbon nanotubes (MWCNTs) by chemical vapor deposition (CVD) method are highly dependent on catalytic performances of catalysts. The conventional sol-gel method often suffers from insufficient precursor mixing, leading to metal particle agglomeration, which results in low yield and large diameter of multi-walled carbon nanotubes. The micro-impinging stream reactor was applied to the continuous synthesis of Co-Mo/Al2O3-MgO catalysts. Using ethylene as the carbon source, multi-walled carbon nanotubes were prepared by CVD method. The effects of impinging stream velocities and ethylene cracking temperatures on the carbon yields, tube diameter distributions and graphitization degrees of the multi-walled carbon nanotubes were systematically investigated. The results show that at the impinging stream velocity of 80 mL/min, the prepared catalyst has a specific surface area of 135 m2/g and exhibits superior reducibility (reduction peak temperature of 362.9 ℃ and hydrogen consumption of 2.91 mmol/g). This catalyst can catalyze the ethylene cracking at 660 ℃, achieving the yield of multi-walled carbon nanotubes to 6070%. The obtained multi-walled carbon nanotubes have a large specific surface area (262 m2/g) and a small average tube diameter ((9.79 ± 2.92) nm). This study will provide some reference for the design of catalysts with high catalytic performances and controllable synthesis of multi-walled carbon nanotubes by micro-impinging stream technology.  
    关键词:micro-impinging stream technology;multi-walled carbon nanotubes;chemical vapor deposition (CVD);ethylene cracking   
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    更新时间:2026-06-11

    PEI Xinya, SONG Hui, YANG Jiangfeng

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260128
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    摘要:The oxidative coupling of methane (OCM) reaction enables the direct construction of C—C bonds from the simplest alkane to produce C2+ hydrocarbons, representing an ideal pathway for the high-value utilization of methane. Photocatalytic reactions, driven by solar energy, provide a new approach for the selective activation of methane with mild and environmentally friendly conditions. Under light irradiation, photogenerated charge carriers are generated and separated on the semiconductor surface. Through interfacial migration and surface reactions, a specific redox environment is established to drive the generation of target activation species, achieving directional activation of C—H bonds and precise control of oxidation degree. The synergistic effect of photogenerated holes and reactive oxygen species makes it possible to achieve highly selective conversion of methane, which is difficult to achieve under traditional thermal catalysis. Recent research progresses on photocatalytic OCM reaction were systematically summarized, with a focus on analyzing the activation mechanisms of C—H bonds and radical coupling pathways. A mechanism research method combining in-situ characterization, isotope labeling and density functional theory calculation was proposed, and the catalytic performances of intrinsic semiconductor catalysts, supported or co-catalyst modified catalysts, and catalysts based on defect engineering regulation were analyzed, in order to provide a theoretical basis and design strategies for improving yield and selectivity of target products and achieving high-efficiency methane conversion driven by solar energy.  
    关键词:photocatysis;methane conversion;oxidative coupling;activation of C—H bonds;mechanism   
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    更新时间:2026-06-11

    SUI Wenkuan, WANG Zihan, LIU Xiangyang, LI Sha, YU Feng, YAN Xiaoliang

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260101
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    摘要:Dry reforming of methane (DRM) is an important route for the conversion of CH4 and CO2 to syngas. However, Ni-based catalysts are prone to coke and sintering during the reaction process, leading to deactivation. Three-dimensional ordered macroporous (3DOM) materials, featuring tunable pore sizes and periodically arranged interconnected pore channels, offer significant advantages of promoting active-phase dispersion, enhancing mass transfer and stabilizing metal particles, thus providing feasible ideas for improving the deactivation resistance of Ni-based catalysts. Firstly, the controllable synthesis of 3DOM materials was outlined, with a focus on exploring the effects of template microsphere preparation, template assembly, precursor infiltration and template removal in the colloidal crystal template method on the pore size, orderliness, and framework integrity of 3DOM materials. Then, the coke resistance mechanisms of 3DOM materials, including enhancing mass transfer and the generation of oxygen vacancies and basic sites to promote the the conversion of carbon precursors, and sintering resistance mechanisms, including pore confinement and strengthening metal-support interactions, were summarized. Finally, the research directions for controlled preparation, structural analysis and engineering application of 3DOM materials were discussed.  
    关键词:three-dimensional ordered macroporous materials;Ni-based catalysts;colloidal crystal template method;dry reforming of methane;coke resistance;sintering resistance   
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    更新时间:2026-06-11

    YAN Haijie, ZHANG Haitao, MA Hongfang, QIAN Weixin, YING Weiyong

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260109
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    摘要:Catalytic conversion of carbon dioxide (CO2) to high-value C2+ mixed alcohols represents an effective approach to achieve carbon resource recycling and mitigate the energy crisis. CuFe catalysts have garnered significant attention in the CO2 hydrogenation to C2+ mixed alcohols reaction due to their unique synergistic effect of CuFe sites. CuFe catalysts with varying n(Cu):n(Fe) were prepared by urea hydrolysis and co-precipitation methods, respectively. The catalyst structures were characterized by XRD and N2 adsorption/desorption, and their catalytic performances in CO2 hydrogenation to C2+ mixed alcohols reaction were investigated. The results show that, compared to co-precipitation method, urea hydrolysis method facilitates the formation of a layered structure in the catalyst, which is beneficial for preventing agglomeration and sintering of active components. The structure can also increase the specific surface area of the catalyst and expose more active sites. Under the conditions of temperature of 300 ℃, pressure of 3.0 MPa and space velocity of 3600 mL/(g·h), UH-3Cu1Fe (n(Cu):n(Fe) = 3:1) prepared by urea hydrolysis method exhibits the highest catalytic activity, with CO2 conversion rate, CO selectivity, total alcohol (MeOH + C2+ mixed alcohols) selectivity and C2+ mixed alcohol distribution (molar flow rate of C2+ mixed alcohols to total alcohols) reaching 26.01%, 30.13%, 25.44% and 19.26%, respectively.  
    关键词:urea hydrolysis method;co-precipitation method;CuFe catalysts;CO2 hydrogenation;C2+ mixed alcohols   
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    更新时间:2026-06-08

    ZHAO Zufeng, YANG Ming, WU Kunyun, HAN Jiao, LIU Daosheng, ZHANG Caishun, ZHANG Lei, GAO Zhixian

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260084
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    摘要:To investigate the slow-release catalytic behaviors of Cu-Al spinel catalysts for hydrogen production by methanol steam reforming (MSR), Cu-Al spinel catalysts were prepared via classification treatment including reduction-oxidation, acid washing and calcination. The physicochemical properties of the catalysts were characterized by XRD, H2-TPR and XPS, and their catalytic performances for MSR reaction were evaluated. The results demonstrate that classification treatment realizes the controllable modulation of Cu species (non-spinel phase and spinel phase). Reduction-oxidation reduces the content of spinel phase Cu and improves the dispersion of non-spinel phase CuO. Acid washing can efficiently remove non-spinel phase CuO, while calcination induces the reverse transformation of partial spinel phase Cu into non-spinel phase CuO. Meanwhile, classification treatment alters the textural properties of the catalysts, and the slow-release catalytic behaviors of modified catalysts are remarkably strengthened. After 50 hours of reaction, the methanol conversion of the untreated CA catalyst increases by 5.7% and stabilizes at 90.5% after 68 h. The initial methanol conversions of CA-300R-300O, CA-HNO3 and CA-HNO3-500 are 57.3%, 38.8% and 42.8%, respectively. After 50 hours of reaction, their methanol conversion rates increase by 28.0%, 39.2% and 35.2%, and stabilize at about 87.5%, 82.2% and 83.6% after 90 h, 55 h and 60 h, respectively. This work will provide reliable experimental data and theoretical guidance for the structural design and performance optimization of high-stability Cu-Al spinel slow-release catalysts.  
    关键词:Cu-Al spinel;Cu species;hydrogen production by methanol steam reforming;slow-release behaviors   
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    更新时间:2026-06-08

    ZU jinxuan, QIAO wenyang, XU ruinian, WANG ning, CHEN biaohua, DAI chengna, XU yubing

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20250495
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    摘要:To achieve the “dual carbon” goals, the efficient and low-energy carbon capture of high-carbon content gas produced from oil fields is important. Six alkanolamines (monoethanolamine (MEA), diethanolamine (DEA), 2-amino-2-methyl-1-propanol (AMP), methyldiethanolamine (MDEA), diethylethanolamine (DEEA) and triethanolamine (TEA)) were selected. By 1H NMR, 13C NMR and FT-IR characterizations and density functional theory (DFT) calculations, the relationships between alkanolamine molecular structures, CO2 absorption performances and reaction mechanisms were systematically investigated. The results show that at 40 ℃ and alkanolamine mass fraction of 30%, MEA and AMP exhibit high CO2 saturation absorption capacities (2.72 mol/kg and 2.58 mol/kg, respectively). The increase in viscosity of alkanolamine solutions after CO2 adsorption strongly depends on the amine types, among which the viscosity of AMP-rich solution is the highest (8.11 mPa·s at 20 ℃). The reaction of primary and secondary amines with CO2 follow the zwitterionic mechanism, whereas tertiary amines follow base-catalyzed hydration mechanism. The Gibbs free energy barriers for both steps (zwitterion formation and proton transfer) in the two-step reaction between MEA and CO2 are the lowest (6 .21 kJ/mol and 5.03 kJ/mol). Due to steric hindrance, the rate-determining steps of DEA and AMP are proton transfer (15.67 kJ/mol) and zwitterion formation (8.70 kJ/mol), respectively. The Gibbs free energy barriers for reactions of MDEA, TEA, and DEEA with CO2 are 39.77 kJ/mol, 42.04 kJ/mol, and 44.47 kJ/mol, respectively, which are significantly higher than those of primary and secondary amines. This study can provide a robust theoretical framework to support the rational design and development of high-performance and low-energy-consumption hybrid amine absorption systems for CO2 capture.  
    关键词:CO2 capture;alkanolamine solutions;absorption mechanism;density functional theory   
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    更新时间:2026-06-08

    HAI Xueqin, MA Li, LV Peng, SONG Xudong, SU Weiguang, WANG Jiaofei, BAI Yonghui, YU Guangsuo

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260149
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    摘要:As a typical solid waste from the coal chemical industry, the massive accumulation of coal gasification fine slag can cause serious ecological problems. However, coal gasification fine slag is also an important raw material for the preparation of porous carbon. To realize the resource utilization of coal gasification fine slag, the carbon-rich fraction (FC) separated from entrained-flow coal gasification fine slag was used as the precursor, and a one-step activation method with KOH/NaOH mixed alkali was adopted to prepare porous carbons. Effects of m(KOH):m(NaOH) on the textural properties, surface chemical states and CO2 adsorption performances of the resulting porous carbons were investigated. The results show that KOH and NaOH exhibit synergistic effect during the activation process, which can optimize the pore structure of FC. Specifically, the porous carbon prepared at m(KOH):m(NaOH) = 3:1 (3(K)/1(Na)) possesses specific surface area of 534 m2/g and total pore volume of 0.461 cm3/g. 3(K)/1(Na) features hierarchically porous structure with both micropores and mesopores, rough surface and regular framework, which can provide abundant adsorption sites and diffusion channels for CO2. The CO2 adsorption capacity of 3(K)/1(Na) reaches 16.8 mg/g, which is significantly higher than FC (6.5 mg/g).  
    关键词:coal gasification fine slag;alkali activation;porous carbons;CO2 adsorption performances   
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    更新时间:2026-06-05

    ZHANG Yiran, ZHANG Haitao, MA Hongfang, QIAN Weixin, YING Weiyong

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260059
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    摘要:Green hydrogen-driven CO2 hydrogenation to methanol represents a pivotal component in establishing a sustainable carbon cycle. However, its large-scale implementation remains constrained by insufficient catalytic activity and a lack of fundamental understanding regarding microscopic reaction mechanisms. To address the limited activity of traditional Cu-based catalysts, the incorporation of Pd to form Pd-Cu bimetallic catalysts has demonstrated significant performance enhancements, yet the underlying regulatory mechanisms remain elusive. Density functional theory (DFT) was employed to investigate the competitive mechanisms between the formate (HCOO*) and reverse water-gas shift (RWGS) hydrogenation pathways on the CuPd(111) surface. Kinetic analysis reveals that the RWGS pathway is the energetically preferred route. The rate-determining step (the formation of trans-COOH*) for the pathway exhibits an energy barrier of 1.34 eV, which is markedly lower than the energy barrier (1.52 eV) of the rate-determining step (activation of CO2 to HCOO*) of the HCOO* pathway. Compared to the pristine Cu(111) surface, Pd doping facilitates the formation of highly active Cu-Pd synergistic sites. These sites stabilize the transition state of the RWGS rate-determining step via electronic effects, reducing the activation barrier from 1.97 eV to 1.34 eV, while simultaneously lowering the barrier for cis-COOH* dissociation into CO* from 0.68 eV to 0.24 eV. Conversely, the HCOO* pathway is hindered not only by its high rate-determining step barrier but also by the complete blockage of the H2COO* formation branch, and the latter’s barrier escalates to 2.57 eV due to excessive H* migration distances (3.98 Å, 1 Å = 0.1 nm) and significant surface distortion. The research can provide reference for the rational design of catalysts and the optimization of reaction processes of CO2 hydrogenation to methanol.  
    关键词:CO2 hydrogenation to methanol;Pd doping;density functional theory;reverse water-gas shift hydrogenation pathway;formate pathway   
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    更新时间:2026-06-05

    LIN Qingshan, WEN Xin, ZHENG Qingrong, SU Jingyu, GUO Yifan

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20250503
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    摘要:In order to improve the safety and economy of shipborne LNG, a technical scheme for adsorbing boil-off gas (BOG) from LNG and using it as the main fuel supply route of the ship propulsion system was proposed. An inland LNG transportation ship was selected, and based on its equipped fuel supply system and a C-type storage tank (in volume about 5 m3, a fuel supply system model was established by using HYSYS to calculate the variation curves of BOG temperature and pressure when the tank filling ratio was 20%~90%. AX-21 activated carbon, as well as MIL-101(Cr) and HKUST-1 samples prepared by solvothermal method, were selected, and their nitrogen adsorption/desorption isotherms at 77.15 K were tested. Methane adsorption isotherms were also measured within the temperature and pressure ranges corresponding to those of the BOG. Combined with the characterization of the main textural parameters of the samples and XRD and SEM analyses, together with prediction accuracy analyses of adsorption models, the limit isosteric heat of adsorption, isosteric heat of adsorption and usable capacity (UC) of methane on the samples were calculated to compare the adsorption performances of methane on the samples. The results show that the variation trends of the temperature and pressure of the BOG in the storage tank are related to the filling ratio. When the filling ratio increases from 20% to 90%, the safe storage duration of BOG in the tank is prolonged by 1.8 times; the variation ranges of the temperature and pressure of the BOG in the tank are 160 K to 163 K and 0 MPa to 1.1 MPa, respectively. For the adsorption equilibrium of methane in BOG on the samples, compared with that of the D-A equation, the prediction accuracy of the Toth equation for adsorption equilibrium data is improved by about 2.49 times. Methane on MIL-101(Cr) exhibits the largest adsorption heat and UC. For the adsorptive storage of BOG in shipborne LNG, selecting MIL-101(Cr) is reasonable.  
    关键词:ship;LNG;boil-off gas;adsorption   
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    更新时间:2026-06-05

    DU Yufeng, HUANG Ye, ZHENG Huaan, SHI Tongqiang, CHEN Jingrun, ZHANG Xu, ZHANG Lei, WU Lei

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20250451
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    摘要:Against the backdrop of sustainable development and the global energy transition, green ammonia, as a key “zero-carbon” chemical feedstock and energy carrier, is gaining increasing strategic importance. First, the definition of green ammonia was clarified based on domestic and international certification standards. Then, the technical routes and research progress of green ammonia in the three stages of production, storage and transportation, and application were reviewed, aiming to provide references for subsequent technological research and engineering demonstration. In terms of production, green hydrogen feedstock substitution pathways, mild-condition thermocatalytic pathways and flexible/miniaturized system pathways in the thermochemical Haber-Bosch (H-B) ammonia synthesis process were systematically analyzed, and the mechanisms, advantages and challenges of emerging technologies such as electrochemical ammonia synthesis and photocatalytic ammonia synthesis were discussed. In terms of storage and transportation, the technical characteristics and applicable scenarios of road, pipeline and marine transportation were comparatively analyzed. In terms of application, the multi-scenario application potential, technological bottlenecks and cost trends of green ammonia as a hydrogen carrier (direct ammonia fuel cells and ammonia decomposition for hydrogen production), a zero-carbon fuel (ammonia-hydrogen/ammonia-coal/ammonia-high-reactivity fuel co-combustion) and a chemical feedstock (ammonia-based carbon capture) were systematically investigated. Finally, the key role of green ammonia in constructing a zero-carbon industrial system and its policy requirements were summarized and prospected.  
    关键词:green ammonia synthesis;renewable energy;low-carbon development;ammonia storage and transportation technologies;ammonia energy applications   
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    更新时间:2026-06-05

    JIA Zhiyi, LIU Hongyan, XIA Limin, GUO Yanwen, ZHANG Yanran, REN Zekai, MENG Yuanyaun, DING Chuanmin

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260043
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    摘要:Nitrogen vacancies and work function are key factors regulating the catalytic performance of non-metal nitrides for ammonia synthesis, whereas precise control by conventional chemical synthesis methods remains difficult. To investigate how nitrogen vacancy concentration and work function regulate the catalytic performance of ammonia synthesis, green and efficient radio frequency magnetron sputtering was employed to prepare boron nitride (BN), carbon nitride (CN) and boron carbon nitride (BCN) non-metal nitride thin films on SiO2 substrates using high-purity N2 as the sputtering gas, and MoFe alloy was further deposited to construct composite catalytic systems (MoFe/BN, MoFe/CN and MoFe/BCN). EPR, UPS and XPS characterization methods were employed to analyze the nitrogen vacancy concentration, work function and surface electronic states of the catalysts, and the thermocatalytic ammonia synthesis performance was evaluated in a micro-fixed-bed reactor. The results show that the three nitrides prepared by magnetron sputtering are all rich in nitrogen vacancies (g-factor ≈ 2.004), and their work functions are 2.47 eV (CN), 2.53 eV (BCN) and 4.46 eV (BN), respectively. Under 800 ℃ and ambient pressure conditions, the ammonia formation rate of MoFe/CN reaches 72.98 μg/(g·h), which is significantly higher than those of MoFe/BN, MoFe/BCN and pure MoFe. XPS results confirm that the CN support transfers electrons to MoFe through strong metal-support interactions, reducing Mo and Fe to lower oxidation states. In summary, magnetron sputtering technology can realize the synergistic regulation of nitrogen vacancies and work function, and the low-work-function CN support optimizes the electronic structure of MoFe active centers through interfacial electron transfer, thereby improving the ammonia synthesis performance.  
    关键词:ammonia synthesis;nitrides;nitrogen vacancies;work function;magnetron sputtering   
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    更新时间:2026-06-05

    YANG Hemin, SUN Renjie, WANG Xiangyun, WANG Jianwei, WEI Peng, WANG Lu, TU Jing, SUN Hui

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260003
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    摘要:To enhance the CO2/CH4 adsorption and separation performance of metal-organic framework materials (MOFs) in natural gas purification, a series of MIL-101 materials doped with trace amounts of Zn2+ (Zn-MIL-101) were synthesized by a solvothermal method. The crystal structure, surface chemical environment, pore structure and thermal stability of the materials were characterized by SEM, XRD, FT-IR, ICP-MS, XPS, N2 adsorption/desorption and TG, and the effects of Zn2+ doping on the adsorption and separation performance of MIL-101 were further investigated. The results indicate that Zn2+ does not enter the MIL-101 framework through equivalent metal-node substitution, but instead participates in the regulation of the local coordination environment around the metal nodes at low content, thereby inducing a certain degree of coordination defects without destroying the overall framework structure, and consequently tuning the pore accessibility and surface chemical properties. At 298 K and 100 kPa, the CO2 adsorption capacity of Zn-M-3 increases from 1.79 mmol/g for MIL-101 to 2.72 mmol/g, corresponding to an increase of 51.10%, whereas the increase in CH4 adsorption capacity is relatively small. The ideal adsorbed solution theory (IAST) calculations and dynamic adsorption experiments of CO2/CH4 binary mixed gas (volume ratio of 20/80) show that the CO2/CH4 selectivity of Zn-M-3 is approximately 1.5 times that of MIL-101, and the CO2 adsorption breakthrough time is prolonged. The density functional theory (DFT) calculation results reveal at the atomic scale that Zn2+ doping promotes CO2 adsorption, whereas its effect on CH4 adsorption was limited. The results of this study reveal the synergistic regulation mechanism of coordination environment and pore structure induced by Zn2+ doping, which can provide a theoretical basis for the design of high-performance CO2 adsorption and separation materials.  
    关键词:MIL-101;Zn doping;CO2 adsorption;CO2/CH4 separation   
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    更新时间:2026-06-02

    ZHEN Zheng, JIANG Yanchi, DU Kaixin, SU Zi, LI Yao, ZHU Zhixiang, WU Xiaojiang, ZHANG Zhongxiao

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260042
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    摘要:The large-scale gasification of Salix psammophila is a crucial technology for realizing the comprehensive utilization of its ecological and energy benefits. Gasification models of fixed bed, fluidized-bed, and entrained-flow bed were constructed based on Aspen Plus. The raw materials and gasification characteristics of Salix psammophila and typical biomass were deeply compared, and the effects of process parameters such as temperature, gasification agent feed rate and pressure on the gasification process of Salix psammophila were systematically studied. The results show that Salix psammophila exhibits advantages of high calorific value and low ash content. Under the same conditions, the proportion (volume fraction) of effective components (CO + H2) in syngas in the gas flow bed gasification is 83.82%, and the carbon conversion rate is 97.87%, which is higher than that in fixed bed and fluidized bed gasification processes. Gasification temperatures and m(steam)/m(biomass) are the main factors influencing the outcomes of the gasification results of Salix psammophila in the high-temperature gas flow bed, and the high-temperature gasification process is not significantly responsive to pressure. When the gasification temperature is lower than 1400 ℃, increasing temperature enhances the yield of effective syngas components but has a greater impact on φ(H2)/φ(CO). Introducing steam effectively adjusts φ(H2)/φ(CO) in syngas, though it leads to a more significant decline in the yield of effective syngas components. Under the same gasification conditions, the cost of producing green methanol from high-temperature gasification of Salix psammophila is lower than that from corn stover, and the methanol yield from Salix gasification is 45.97% higher than that from corn stover.  
    关键词:Salix psammophila;steam gasification;Aspen Plus;process parameters   
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    更新时间:2026-05-29

    WANG Liang, MA Zhongbao, SONG Xuan, LI Dongfang, RAO Yunsong

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20250435
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    摘要:Under the impetus of “dual-carbon” goals, efficient and low-cost green hydrogen production technologies have become a key to energy transition. Anion exchange membrane water electrolysis (AEMWE) technology can combine the advantage of low-cost of alkaline water electrolysis with the high efficiency and compactness of proton exchange membrane water electrolysis, showing great potential for development. The hydroxide ion conduction mechanism in the anion exchange membrane of AEMWE was systematically elaborated. The structure-performance relationship between key structural components such as the polymer backbone and cationic groups and the conductivity, stability and mechanical properties of AEMWE was deeply analyzed. Three major optimization strategies for enhancing overall membrane performance were reviewed: Constructing microphase-separated structures to optimize ion transport channels; introducing cross-linked networks to synergistically improve conductivity and dimensional stability; developing all-carbon-backbone polymers to strengthen intrinsic alkaline stability. Additionally, the mainstream preparation techniques from solution casting to photopolymerization and their effects on membrane properties were outlined. Finally, future challenges and potential research directions for anion exchange membrane materials were prospected, aiming to provide references for the further advancement of AEMWE technology for hydrogen production.  
    关键词:water electrolysis for hydrogen production;anion exchange membrane;OH- conductivity;alkaline stability;microphase separation;mechanical strength   
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    更新时间:2026-05-29

    ZHANG Yiyu, QIAO Lin, YUAN Pengfei, ZHANG Ze, FU Dong, ZHANG Pan

    当前状态: 二校优先
    DOI:10.12434/j.issn.2097-2547.20260083
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    摘要:The rapid industrial development has led to excessive CO2 emissions, which further exacerbates the greenhouse effect. To develop high-efficiency and cost-effective CO2 adsorbents, low-cost sugarcane bagasse, melamine and KOH were selected as the carbon source, nitrogen source and activator, respectively. A series of nitrogen-doping coupled with KOH activation CO2 adsorbents were fabricated by regulating the activation temperature and activator ratio, and their microstructure as well as CO2 adsorption properties were evaluated. The results demonstrate that the adsorbent (SGN-700-1) prepared with mass ratio of KOH to melamine-doped bagasse of 1 (melamine mass fraction of 15%) and activated at 700 ℃ exhibits excellent CO2 adsorption performance. At 1 bar (1 bar = 0.1 MPa), its static CO2 adsorption amount reaches 5.76 mmol/g at 0 ℃ and 3.55 mmol/g at 25 ℃, respectively. Meanwhile, the CO2 dynamic adsorption amount is up to 2.04 mmol/g at 25 ℃, and the CO2/N2 adsorption selectivity is as high as 24 at 25 ℃. After five cycles, the CO2 adsorption performance of SGN-700-1 can maintain stable. Mechanism analysis result shows that the chemical enhancement induced by nitrogen doping is coupled with the physical structure optimization derived from KOH activation, presenting a synergistic effect on the improvement of CO2 adsorption performance.  
    关键词:sugarcane bagasse;nitrogen-doping;alkali-activation;porous carbon materials;CO2 adsorption   
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    更新时间:2026-05-27
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