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Published Research PapersFiltered: Year 2026 • 54 • 6

Showing 18 of 106 peer-reviewed papers with full Graphical Abstracts.

Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60653-6• Jan 15, 2026

Study on the coke deposition characteristics of hierarchical ZSM-5 zeolites with synergistic regulation of pore structure and temperature in benzene catalysis

Authors: ZENG Qingzhou, HAN Xuefeng, ZHAO Hongyu, LI Jihui, LIU Shucheng

Carbon deposition caused by mass transfer limitations is a key challenge for traditional microporous ZSM-5 zeolites in coal tar catalytic cracking. To address this, benzene was used as a model compound. Parent ZSM-5 (NL-ZSM-5) was modified with tetraethylammonium hydroxide (TEAOH) to prepare hierarchical ZSM-5 zeolites with different mesopore sizes. Characterization (XRD, FT-IR, BET, TEM) confirmed successful mesopore introduction via selective desilication while retaining the MFI structure. At TEAOH concentration of 0.4 mol/L (ZSM-5-C), total pore volume increased from 0.24 to 0.43 cm3/g, and Brønsted acid amount increased from 0.28 to 0.67 mmol/g, with improved acid site accessibility. Catalytic experiments and carbon deposition analysis showed that hierarchical pore structure inhibits coking via a synergistic effect of diffusion enhancement and adsorption-site regulation. The coke amount of ZSM-5-C was 4.0%, only one-third of that of NL-ZSM-5 (11.9%). Molecular dynamics simulations confirmed that the diffusion coefficient of benzene in a 3.0 nm mesopore model is an order of magnitude higher than in a 2.0 nm model. Adsorption capacity decreases with increasing mesopore size, shortening residence time. Increasing temperature enhances diffusion but exponentially intensifies surface condensation reactions (Arrhenius effect), which dominates coke formation; hierarchical pores mitigate this negative effect. This research provides a theoretical basis for designing high-efficiency, coke-resistant catalysts for coal tar conversion.

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Study on the coke deposition characteristics of hierarchical ZSM-5 zeolites with synergistic regulation of pore structure and temperature in benzene catalysis

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(25)60624-4• Jan 15, 2026

Recent Advances in Catalysts for the Highly Selective Conversion of Syngas into Para-Xylene

Authors: GU Yongqiang, SUI Jiancai, XING Tao, LI Tao, LIU Guangbo, TAN Minghui, LIU Qiang, Noritatsu Tsubaki

Para-xylene (PX) is a critical chemical feedstock for producing polyesters, plastics, and fibers, with China's 2024 consumption reaching 40 million tons (63% of global total) and an import dependency of 17%. Conventional naphtha-based routes face feedstock security and cost volatility, prompting interest in syngas conversion. This review systematically examines recent catalyst developments for direct syngas-to-PX-rich aromatics, focusing on three systems: Fischer-Tropsch synthesis (FTS) catalyst/zeolite coupling, methanol synthesis catalyst/zeolite synergy, and dual-engine/zeolite catalysis. Critical parameters such as active component electronic structure, promoter effects, and zeolite pore topology are analyzed to reveal governing principles of activity, selectivity, and stability. Reaction mechanisms via olefin, methanol, and dual-intermediate pathways are explored. Current bottlenecks include coordinated optimization of activity and stability, and unclear regulation of PX selectivity. Future research directions are proposed to address these challenges.

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Recent Advances in Catalysts for the Highly Selective Conversion of Syngas into Para-Xylene

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(25)60615-3• Jan 15, 2026

Mechanistic Study on the Enhanced Synergistic Effect in Co-pyrolysis of Huangling Coal and Enzymatic Hydrolysis Lignin via Hydrothermal Pretreatment

Authors: BAI Zhuangwei, ZHOU Anning, ZHANG Huaiqing, ZHANG Zhi, XI Dong, CHEN Fuxin, HE Xinfu

Co-pyrolysis of oil-rich coal and biomass is a promising route to enhance oil and gas production, yet the underlying synergistic mechanisms remain poorly understood. This study investigates the effect of hydrothermal pretreatment (HTP) on the co-pyrolysis of Huangling coal (H) and enzymatic hydrolysis lignin (E). Raw and pretreated samples were characterized via proximate/ultimate analysis, SEM, ICP-OES, and 13C-NMR. Fixed-bed pyrolysis experiments were conducted to evaluate synergistic performance. Results show that HTP reduces oxygen content, develops pore structure, and increases concentrations of inorganic metal ions (Ca, K, Fe) in the aqueous phase. Structural modifications bring the carbon skeleton of E closer to that of H, with increased bridge carbon ratio and improved thermal stability, aligning pyrolysis temperature ranges. For the H/E blend (8:2) after 24 h HTP, tar yield increases by 80.52% compared to untreated blend, with significant rises in aliphatic compounds and monocyclic aromatic hydrocarbons. Gas yields of H2, CO, and CH4 increase by 5.47%, 10.98%, and 9.27%, respectively, while CO2 and pyrolysis water generation are inhibited (water yield decreases by 93.98%). Semi-coke pore structure becomes more developed. The enhanced synergistic effect is attributed to a multi-fold mechanism of 'component interaction-structural modification-catalytic cracking'. These findings provide theoretical support for developing technologies to improve co-pyrolysis of oil-rich coal and biomass, advancing low-carbon, high-quality utilization.

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Mechanistic Study on the Enhanced Synergistic Effect in Co-pyrolysis of Huangling Coal and Enzymatic Hydrolysis Lignin via Hydrothermal Pretreatment

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60678-0• Jan 15, 2026

Oil Production from Thermal Liquefaction of Polyethylene in Low-Pressure Superheated Methanol

Authors: ZHAO Peitao, SONG Chengye, FU Binbin, PENG Xiong, WANG Jingyi, FENG Chao, YE Puhai, ZHOU Haiyun

Improper disposal of plastic waste represents both the loss of valuable resources and significant environmental threat. This study investigates the thermal liquefaction of high-density polyethylene (HDPE) using low-pressure superheated methanol. It systematically evaluates the effects of reaction temperature and the ratio of reactant to methanol on liquefaction efficiency and product characteristics. Results indicate that complete conversion of HDPE can be achieved in low-pressure superheated methanol (<0.5 MPa) at a minimum external heating temperature of 260 °C. Under this condition, oil yield reached 77.1% with alkanes comprising 62.3% of the product alongside minor oxygenated compounds. As temperature increased, the average carbon number of hydrocarbons gradually decreased. Below 260 °C, HDPE conversion decreased significantly, and products were primarily waxy. At 290 °C, the proportion of gasoline-like fractions (C6–C12) increased markedly from 16.6% to 80.9%. Furthermore, reactant ratio plays a critical regulatory role; extremes in ratio—either too high or too low—diminish heat transfer efficiency and reduce conversion. Mechanistically, liquefaction primarily involved cleavage of secondary C−C bonds, where resulting oligomers further cracked into free radicals to form diverse hydrocarbons through secondary reactions. This work demonstrates that low-pressure superheated methanol liquefaction is a mild, efficient, and pretreatment-free method to upcycle polyethylene into valuable fuels. Optimizing these process parameters can pave the way for industrial application, aiding in both plastic pollution management and sustainable resource recovery.

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Oil Production from Thermal Liquefaction of Polyethylene in Low-Pressure Superheated Methanol

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60659-7• Jan 15, 2026

Synthesis of ZSM-5 Molecular Sieve from Coal Gasification Fine Slag and Its Adsorption Mechanisms for Pb2+ in Aqueous Solution

Authors: JIAO Facun, YU Jie, GAO Shengtao, ZHANG Yuanchun, LIU Tao, MAO Lirui, WU Chengli, LI Hanxu, DONG Zhongbing

Coal gasification fine slag (CGFS), a solid waste from entrained-flow coal gasification, is characterized by fine particles and high silicon and aluminum content. This study proposes a simple and economical hydrothermal synthesis of ZSM-5 molecular sieve using CGFS as raw material. Impurities were removed by acid washing, followed by alkaline extraction of silicon and aluminum species. The extracted Si-Al precursors were crystallized hydrothermally at 170 °C for 48 h, yielding ZSM-5 with a high specific surface area of 358 m2/g. Adsorption experiments showed that the synthesized ZSM-5 exhibited excellent Pb2+ removal performance: at 25 °C, the removal efficiency for a 50 mg/L Pb2+ solution reached 83.7%, with an adsorption capacity of 104.625 mg/g under optimized conditions. The adsorption process is mainly governed by chemisorption mechanisms, including surface complexation, precipitation, and ion exchange. Thermodynamic analyses indicated that Pb2+ adsorption is spontaneous and endothermic, consistent with multilayer chemisorption. The synthesized ZSM-5 shows promising potential for application in the treatment of lead-containing wastewater, offering a high-value utilization route for coal-based solid waste.

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Synthesis of ZSM-5 Molecular Sieve from Coal Gasification Fine Slag and Its Adsorption Mechanisms for Pb2+ in Aqueous Solution

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60645-7• Jan 15, 2026

Research Progress on Mn-Based Catalysts for Catalytic Combustion of Volatile Organic Compounds

Authors: LUO Guangjun, CHEN Shuang, YIN Hong, ZENG Jia, XIE Hongmei, ZHOU Guilin

Volatile organic compounds (VOCs) from diverse sources severely impact atmospheric environment and human health. Manganese (Mn)-based catalysts, with exceptional structural diversity and abundant redox versatility, are widely used in catalytic combustion of VOCs. This review summarizes the catalytic performance of various Mn-based catalysts, emphasizing preparation strategies for high-performance materials and systematically analyzing how active site construction influences VOC combustion. Catalytic oxidation mechanisms are expounded in detail. Key aspects include MnOx polymorphs, doping with alkali metals (e.g., K+), transition metal composites (Co, Cu), and noble metal loading (Pt, Pd, Au). Performance metrics such as T90 values, oxygen vacancy concentrations, and specific surface areas are discussed. The review provides insights into deactivation mechanisms and anti-poisoning strategies, offering practical guidance for VOC pollution remediation.

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Research Progress on Mn-Based Catalysts for Catalytic Combustion of Volatile Organic Compounds

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60643-3• Jan 15, 2026

Mechanistic Insights into CO Adsorption Modes on Pt-Based Supported Catalysts

Authors: HE Kai, SU Xuyan, QU Zhuang, YANG Ye, QIN Yucai, SONG Lijuan

The adsorption behavior and electron transfer mechanism of CO on Ptn/γ-Al2O3 catalysts (n = 4, 13) were systematically investigated using density functional theory (DFT) calculations, complemented by infrared (IR) spectroscopy, electron difference density (EDD), and charge decomposition analysis (CDA). The study reveals that Pt cluster size critically governs the adsorption configuration, electron transfer, and C–O vibrational frequency. For small Pt4 sub-nanometric clusters, highly unsaturated Pt atoms exhibit strong d-electron back-donation, leading to substantial filling of CO π* antibonding orbitals, significant weakening of the C–O bond, and a redshift in IR frequency. Conversely, large Pt13 clusters, characterized by dense structures and electron delocalization, exhibit weakened back-donation, enhanced C–O bonding, and a blueshift. The electron transfer intensity follows the order: linear < bridge < multi-terminal adsorption. Bridge adsorption is most sensitive to cluster size, displaying an IR blueshift of 81 cm−1 when Pt atoms increase from 4 to 13. Multi-terminal adsorption shows stable frequencies due to a 'saturation effect'. This study establishes a comprehensive correlation among Pt size, electronic structure, adsorption properties, and infrared response, providing atomic-scale theoretical guidance for designing efficient Pt-based catalysts with optimized CO adsorption strength and resistance to poisoning.

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Mechanistic Insights into CO Adsorption Modes on Pt-Based Supported Catalysts

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60638-X• Jan 15, 2026

Research progress on the role of oxygen vacancy in catalysts for dry reforming of methane

Authors: CHEN Kai, CHEN Yuxiang, ZHANG Yexin, ZHANG Jian

The extensive emission of greenhouse gases, primarily CO2 and CH4, has contributed to intensified global warming. Dry reforming of methane (DRM, CH4 + CO2 → 2CO + 2H2) offers a pathway for the synergistic utilization of these two major greenhouse gases, presenting important implications for both environmental protection and energy sustainability. However, the catalysts still face challenges such as carbon deposition and sintering of active metals, which adversely affect the catalytic performance and long-term stability. Oxygen vacancies, which are common lattice defects in metal oxides, have been demonstrated to improve the DRM performance by modulating the surface and interfacial properties of the catalysts. This review systematically summarizes research progresses in DRM over the past decade, outlines the major challenges and emphasizes the critical roles of oxygen vacancies in suppressing carbon deposition and inhibiting metal sintering. Furthermore, the mechanisms through which oxygen vacancies influence DRM reactions are discussed, combined with their formation pathways and regulation strategies. These insights provide essential theoretical foundations for the design and synthesis of highly efficient and stable DRM catalysts.

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Research progress on the role of oxygen vacancy in catalysts for dry reforming of methane

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60639-1• Jan 15, 2026

Ni/CaO-ZrO2-Al2O3 Catalyst for CO2 Methanation: Enhanced Low-Temperature Activity and High-Temperature Sintering Resistance

Authors: LI Jia, SUI Qingqing, JIANG Yanan, BAI Yang, LIU Yuan

Ni/Al2O3 is regarded as one of the most promising catalysts for industrial CO2 methanation, yet it suffers from inadequate low-temperature activity and thermal sintering. To address these challenges, an Ni/CaO-ZrO2-Al2O3 catalyst with high low-temperature activity and robust high-temperature sintering resistance was developed by introducing Ca and Zr promoters. Under reaction conditions of 250 °C and a space velocity of 30000 mL/(g·h), the catalyst achieved a CO2 conversion of 96% and a methane space-time yield of 257.5 mmol/(g·h). In a 200 h aging test at 600 °C, the Ca-Zr dual-promoted catalyst exhibited a smaller increase in Ni particle size and less activity loss compared to the Ca-promoted counterpart. Characterization revealed that Ca and Zr promoters not only improve Ni dispersion but also enhance surface basicity, contributing to excellent low-temperature activity. Furthermore, Zr suppresses the transformation of Ca species into CaCO3 via solid-phase reaction under operating conditions, thereby inhibiting Ni sintering and ensuring high-temperature stability. This work provides a novel promoter design strategy for developing high-performance Ni-based catalysts for CO2 methanation.

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Ni/CaO-ZrO2-Al2O3 Catalyst for CO2 Methanation: Enhanced Low-Temperature Activity and High-Temperature Sintering Resistance

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(25)60628-1• Jan 15, 2026

MoO2(acac)2-encapsulated in TS-1 zeolite catalyst for CO2 coupling with olefins to cyclic carbonates

Authors: XING Mengjiao, TANG Jianyu, ZHAO Yindi, CAI Yushan, LIANG Xingkai, XIE Jinxia, ZHANG Tianfu, FANG Yiwen, LIU Suyao

The coupling of CO2 with olefins to produce cyclic carbonates has emerged as an important research topic in sustainable chemistry, owing to its high atom economy and the wide applicability of the resulting products. However, this reaction faces a significant challenge due to the mismatch between the rates of the epoxidation and cycloaddition steps. In this work, a series of TS-1 zeolite catalysts encapsulating different amounts of molybdenum acetylacetonate were prepared through hydrothermal synthesis followed by post-treatment, with the aim of elucidating the rate balance between the epoxidation and cycloaddition steps and the underlying regulation mechanism. Characterization results show that the Mo species were present as highly dispersed molybdenum acetylacetonate complexes that were stably confined within the TS-1 framework. These complexes interact electronically with the tetra-coordinated Ti sites to form synergistic active centers, while imposing negligible effects on the zeolite structure and porosity. In the CO2-styrene coupling reaction, tuning the Mo loading enabled effective control over the epoxidation rate, thereby achieving an appropriate balance with the subsequent cycloaddition step. The optimized catalyst delivered excellent performance under mild conditions, with a styrene conversion of 83.4% and a selectivity of 75.3%, and also exhibited outstanding recyclability. Overall, this encapsulated catalyst successfully addresses the dual challenges of rate matching and active-site stability in CO2–olefin coupling, providing valuable insights for the rational design of efficient, durable bifunctional catalysts.

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MoO2(acac)2-encapsulated in TS-1 zeolite catalyst for CO2 coupling with olefins to cyclic carbonates

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0034• Jan 15, 2026

Effects of Zeolite Type and Acidic Properties on the Catalytic Cracking Performance of Dodecane

Authors: MA Wenshuo, YANG Zhihao, CHEN Mengxin, WANG Jingxian, TIAN Yuanyu, QIAO Yingyun

Catalytic cracking of gasoline and diesel to light olefins is a pivotal route for high-value utilization of surplus fuels, typically employing zeolite catalysts. This study systematically investigates the effects of zeolite type and acidic properties on the catalytic cracking of dodecane, a diesel model compound, using SAPO-34, ZSM-5 with SiO2/Al2O3 ratios of 38, 85, and 200, and USY. Catalysts were characterized by XRD, SEM, N2 physisorption, NH3-TPD, and pyridine-FTIR, and evaluated in a fixed-bed reactor. Results demonstrate that zeolite type is the primary determinant of conversion and product distribution. SAPO-34, with 0.38 nm pores, achieved only 24.33% conversion and negligible BTX yield, with severe external coking. ZSM-5-38 and USY, with larger pores, achieved near-complete conversion; however, ZSM-5-38, possessing moderate acidity, yielded the highest light olefins (18.40%) and minimal coke (0.18%), while USY, with higher acidity, promoted hydrogen transfer and coking (12.90% coke). Within ZSM-5 series, lower acid site density (ZSM-5-200) proved optimal, achieving 97.79% conversion and a total light olefin yield of 41.93% (ethylene 11.11%, propylene 20.33%, butenes 10.49%) with low coke (0.43%). The study proposes reaction pathways and regulatory mechanisms, highlighting that zeolite type and acidity govern the relative rates of cracking, hydrogen transfer, oligomerization, aromatization, and coking, thereby dictating performance. These findings provide a rational basis for optimizing zeolite catalysts in commercial gasoline/diesel cracking processes.

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Effects of Zeolite Type and Acidic Properties on the Catalytic Cracking Performance of Dodecane

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0037• Jan 15, 2026

Selective Hydrogenation Performance of Pd Catalysts Supported on Alumina Microspheres

Authors: SHANG Bin, SUN Limin, HU Xiaoli, LAI Weikun, FANG Weiping, YI Xiaodong

Alumina microspheres with a lamellar-assembled flower-like morphology were synthesized via a urea-assisted hydrothermal method and used as supports to prepare Pd/Al2O3-M catalysts by incipient wetness impregnation. The catalytic performance was evaluated in the selective hydrogenation of isoprene and the hydrogenation of 2-ethylanthraquinone for hydrogen peroxide production, and compared with a commercial alumina-supported Pd catalyst (Pd/Al2O3). Characterization revealed that the flower-like structure, composed of stacked nanosheets, promoted high Pd dispersion and enhanced metal-support interaction, leading to a higher surface Pd content and more abundant active sites. Under 60 °C and 1 MPa H2, Pd/Al2O3-M achieved 95.2% conversion of isoprene with 98.3% total selectivity to isoamylenes, and exhibited good stability over 24 h. In anthraquinone hydrogenation, it reached a hydrogenation efficiency of 15.8 g/L, a 27.4% improvement over Pd/Al2O3 (12.4 g/L). The study demonstrates that modulating carrier morphology is an effective strategy to simultaneously enhance activity, selectivity, and stability of Pd catalysts, offering a promising approach for designing efficient hydrogenation catalysts.

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Selective Hydrogenation Performance of Pd Catalysts Supported on Alumina Microspheres

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60650-0• Jan 15, 2026

Research Progress on Catalytic Pyrolysis of Biomass for Aldehyde and Ketone Production

Authors: WANG Hengwei, QIU Li, GE Zefeng, YUAN Xinhua, HUANG Pu, CUI Dongxu, LI Jinjin, CHEN Dengyu

Aldehydes and ketones are valuable oxygen-containing organic intermediates essential for synthesizing fine chemicals, fuels, and materials. Lignocellulosic biomass, as the most abundant renewable carbon resource with an annual production exceeding 180 billion tons, offers a sustainable route to produce platform carbonyl compounds such as furfural, 5-hydroxymethylfurfural (HMF), and low-molecular-weight aliphatic ketones via pyrolysis. This review systematically summarizes recent progress in catalytic pyrolysis of biomass for aldehyde and ketone production. It first outlines the structural features, types, and biomass-derived origins of typical carbonyl platform molecules. Second, it compares the decomposition pathways and intermediate evolution behaviors of cellulose-rich, hemicellulose-rich, and lignin-rich biomasses under non-catalytic pyrolysis, clarifying the influence of multicomponent synergistic effects on aldehyde and ketone formation. Particular emphasis is placed on the mechanistic roles and dominant reaction pathways of metal salts, metal oxides, and carbon-based catalytic systems in regulating key steps such as dehydration, decarbonylation, C−O/C−C bond cleavage, and skeletal rearrangement. The review identifies major challenges, including unclear catalyst structure-activity relationships, inadequate active site stability, and limited product selectivity. Future perspectives propose rational design of multilevel structured catalysts, integration of in situ characterization with multiscale simulation, and development of green scale-up and process integration strategies. This work aims to provide a systematic theoretical reference for high-value biomass utilization and renewable carbon conversion.

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Research Progress on Catalytic Pyrolysis of Biomass for Aldehyde and Ketone Production

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60642-1• Jan 15, 2026

Influence Mechanism of Acidic Mineral Components on the Reaction Behavior of Ion-Exchangeable Calcium during Coal Pyrolysis

Authors: LI Hongsheng, HAO Pan, YAN Lunjing, KONG Jiao, WANG Meijun, BAO Weiren, CHANG Liping

Inherent minerals significantly influence the thermal conversion of coal, yet the interaction mechanisms among minerals affecting tar generation during pyrolysis remain unclear. This study investigates the effect of acidic mineral components on the behavior of ion-exchangeable Ca2+ during coal pyrolysis. Coal samples were prepared via HCl and HCl-HF acid washing followed by Ca2+ ion exchange. Pyrolysis was conducted in a fixed-bed reactor. Acid washing effectively reduced ash content but also decreased organic element contents (carbon, hydrogen). Loading ion-exchangeable calcium enhanced the thermal weight loss rate in the 500–550 °C range, shifting the peak temperature from 530 °C to 514 °C. At a final pyrolysis temperature of 600 °C with slow heating, kaolinite in acidic minerals underwent dehydroxylation to form metakaolin. The content of small aromatic rings (<6 rings) in char from Ca-loaded coal was lower than that from acid-washed coal without Ca. Coexistence of acidic minerals with ion-exchangeable Ca increased aliphatic hydrocarbon content in tar: YL-HCl-Ca reached 21.98% versus 13.60% for YL-De-Ca. Acidic mineral components inhibit the adverse effect of ion-exchangeable Ca2+ on tar lightening. These findings provide insights into mineral interactions during pyrolysis, aiding in optimizing coal conversion processes for improved tar quality.

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Influence Mechanism of Acidic Mineral Components on the Reaction Behavior of Ion-Exchangeable Calcium during Coal Pyrolysis

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60648-2• Jan 15, 2026

Effect of Mixing Modes on Integrated Process of Co-pyrolysis of Coal and Biomass with CO2 Reforming of Methane to Improve Tar Yield

Authors: LUO Jie, ZHANG Shuhao, ZHONG Mei, DAI Zhenghua, LIU Yang, JIN Lijun

The influence of mixing modes on the integrated process of co-pyrolysis of Naomaohu coal (NMH) and elm (ELM) with CO2 reforming of methane (CP-CRM) was investigated over Ni-based catalysts prepared by ball milling. Three mixing modes—NMH/ELM, ELM/NMH, and Blends—were examined and compared with co-pyrolysis under N2 (CP-N2). Results show that product distribution was significantly affected by mixing mode. The Blends mode achieved the highest tar yield, increasing by 35.29% compared with CP-N2. Light oil content in tar was higher, while pitch content was lower for Blends relative to layered modes. Phenols content in tar from Blends was 19.52% higher than CP-N2, and free radical concentration in tar was higher, attributed to enhanced heat and mass transfer between particles by mechanical mixing, promoting complete pyrolysis and efficient utilization of hydrogen-rich free radicals (·H, ·CHx) to suppress secondary cracking and polymerization. In contrast, NMH/ELM mode in CP-CRM improved phenols content by 33.27% over CP-N2. Free radical concentration in tar during CP-CRM was lower than in CP-N2, indicating timely stabilization of pyrolysis radicals by reforming-generated radicals. These findings provide guidance for regulating tar yield and composition in co-pyrolysis processes.

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Effect of Mixing Modes on Integrated Process of Co-pyrolysis of Coal and Biomass with CO2 Reforming of Methane to Improve Tar Yield

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60683-4• Jan 15, 2026

A Computational Dataset for C1 Molecular Catalytic Conversion over Iron-Based Catalysts

Authors: ZHANG Jian, LI Chaochao, LU Kuan

The catalytic conversion of C1 molecules (e.g., CO, CO2) is pivotal for sustainable C1 chemistry and low-carbon transformation. A profound understanding of microscopic reaction mechanisms requires systematic theoretical and experimental data. This study constructs a computational dataset for C1 molecular catalytic conversion over iron-based catalysts, focusing on Fe5C2 and systematically integrating multidimensional information on adsorption, dissociation, and formation reactions across crystal surfaces (001, 111, 510). The dataset comprises 690 directories and 1961 files, including 96 configurations for Fe5C2(001), 93 for Fe5C2(111), and 472 for Fe5C2(510). It covers adsorbed states (e.g., COH, H2), dissociated states (e.g., CO under 2H conditions), and formation states (e.g., CH/CH3 under 2H and H2O conditions). A standardized hierarchical storage system categorizes reaction types, crystal surfaces, and structural parameters. This dataset serves as a benchmark for validating quantum chemical methods and provides critical data support for catalyst design and reaction pathway optimization by uncovering coupling effects of crystal surfaces and reaction mechanisms. The data are publicly available via DOI: 10.57760/sciencedb.34259.

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A Computational Dataset for C1 Molecular Catalytic Conversion over Iron-Based Catalysts

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60675-5• Jan 15, 2026

A Dataset of Nickel and Cobalt Based Phosphides for Electrocatalytic Oxygen Evolution Reaction in Alkaline Solution

Authors: LU Xinyu, WU Jianghong, WANG He, WANG Chao

Hydrogen as an energy carrier offers a promising route to mitigate environmental issues from fossil fuel use. Efficient and inexpensive electrocatalysts for the oxygen evolution reaction (OER) in alkaline media are critical for advancing alkaline water electrolyzers. Transition metal phosphides (TMPs) are promising (pre-)catalysts for OER. This dataset compiles and compares the electrocatalytic OER activity of nickel- and cobalt-based phosphides. The phosphides were synthesized via solvothermal phosphidization or electrodeposition, and their OER activities were evaluated using linear sweep voltammetry in 1 mol/L KOH. Cyclic voltammetry and electrochemical impedance spectroscopy were also performed. The dataset comprises 312 files totaling 14.5 MB. It provides key electrocatalytic parameters and enables analysis of the influence of metal doping, solvothermal conditions (solvent and precursors), and crystallinity on OER activity. This dataset serves as a benchmark for evaluating Ni and Co phosphide materials for alkaline OER and provides a foundation for designing more active TMP-based electrocatalysts through comparative analysis. The materials may also be applied to other reactions such as hydrogen evolution, alcohol oxidation, and CO2 reduction, relevant to fuel cells, electrolyzers, and metal-air batteries, as well as in lithium/sodium-ion batteries and anticorrosion coatings.

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A Dataset of Nickel and Cobalt Based Phosphides for Electrocatalytic Oxygen Evolution Reaction in Alkaline Solution

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60695-0• Jan 15, 2026

Research Progress in Catalysts for Direct Carbonylation of Glycerol with CO2 to Glycerol Carbonate

Authors: WANG Yuhua, LI Hongguang, XU Ying, KOU Yongli, ZHAO Mingxing, ZHAO Ning

The direct carbonylation of glycerol with CO2 to glycerol carbonate represents a promising route for CO2 utilization, addressing both carbon emission reduction and the synthesis of value-added chemicals. However, the reaction is thermodynamically limited, resulting in low glycerol conversion, necessitating the use of coupling agents and appropriate catalysts. This review systematically examines recent progress in homogeneous catalysts (inorganic and organic bases) and heterogeneous catalysts (Zn, Cu, Ce, La, Mg, noble metals, modified zeolites, non-metallic materials) for this transformation. Strategies such as metal oxide modification, support optimization, precursor selection, and construction of acidic-basic sites are analyzed for enhancing catalytic performance. The effects of coupling agents including acetonitrile, adiponitrile, 2-cyanopyridine, MgCO3, CaC2, and NaHCO3 are summarized. Notably, 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), Zn(QTf)2, and metal composite oxides like ZnO-CeO2 have demonstrated promising catalytic performance. Future research directions include developing organometallic complexes or composite metal oxides with highly dispersed active sites and tailored morphologies to modulate surface area, pore size, and acidity/basicity; optimizing coupling agents or designing novel membrane reactors to improve glycerol conversion; and introducing polar solvents to enhance reactant adsorption and activation. These approaches provide valuable references for catalyst design and reaction system optimization in the carbonylation of glycerol with CO2.

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Research Progress in Catalysts for Direct Carbonylation of Glycerol with CO2 to Glycerol Carbonate

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