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摘要：Low-carbon olefins, as the important platform products in chemical industry, have witnessed a continuous increase in market demand. The traditional olefin production process not only relies heavily on fossil resources, but also causes environmental pollution. The increased utilization of shale gas and natural gas has provided abundant light alkane resources to olefin production, thus making dehydrogenation of low-carbon alkanes a promising route for olefin production. In recent years, CO2-assisted oxidative dehydrogenation (CO2-ODH) has attracted considerable attention, and developing highly active and stable non-noble metal-based catalysts is proved to be a key research target in CO2-ODH. The catalytic performances of typical non-noble metal-based catalysts were compared and analyzed, and the catalytic mechanisms were summarized, and the main challenges faced by non-noble metal-based CO2-ODH catalysts along with corresponding improvement strategies were discussed.关键词：low-carbon alkanes;oxidative dehydrogenation;CO2 utilization;non-noble metal-based catalysts1|0|0更新时间：2026-08-04 -
摘要：Coke has long been regarded as a primary cause of deactivation of zeolite catalysts and it is often necessary to regenerate deactivation zeolite catalysts by air burn-off in industry. By reviewing the current research status and challenges of coke, it is found that the morphologies, structures and evolution are synergistically influenced by multiple factors. The role of coke in reaction processes can no longer be simply reduced to a purely negative effect. On the one hand, excessive deposition of coke can cover active sites on the catalyst surface and hinder molecular diffusion, leading to deactivation of catalysts. On the other hand, a moderate amount of coke can play a positive role in catalyst synthesis and the regulation of reaction pathways. With the deepening of understanding of coke, the coke regulation strategies are shifting from “passive removal” to “active regulation”. Specifically, adjusting the reaction atmospheres can significantly prolong catalysts’ lifetimes and optimize product distributions, while strategies like pre-coking and partial regeneration can increase the light olefin selectivity and reduce CO2 emissions. This study can provide reference for achieving the goals of high product selectivities, low energy consumptions and green sustainable development in industrial catalysis.关键词：zeolite catalysts;coke-induced deactivation;coke regulation;coke utilization1|0|0更新时间：2026-08-04 -
摘要：The regeneration stage of amine solutions commonly suffers from high thermal energy demand and slow CO2 desorption rate. To overcome these problems, a Co-Ni bimetallic catalyst (NiCo-NC) was prepared via cascade synthesis method. The structure of NiCo-NC was characterized by SEM, TEM and XRD, and its catalytic performance in CO2 desorption process from a rich monoethanolamine solution (MEA) was investigated, with the Co monometallic catalyst (Co-NC) and Ni monometallic catalyst (Ni-NC) as comparison groups. The results indicated that at 91.2 ℃, MEA-rich solution achieves the maximum CO2 desorption rate of 8.3 mmol/min and the CO2 desorption amount of 136.1 mmol with NiCo-NC, outperforming Co-NC (7.4 mmol/min and 124.3 mmol) and Ni-NC (7.3 mmol/min and 107.8 mmol). Meanwhile, the relative desorption energy consumption with NiCo-NC is low (34.6%). In addition, NiCo-NC exhibits a certain adaptability to the catalytic desorption of alcohol amine solutions and demonstrates good stability.关键词：MEA solution;CO2 desorption;Co-Ni bimetallic catalyst;regeneration energy consumption7|0|0更新时间：2026-07-28 -
摘要：In the field of CO2 capture from flue gas, the synergistic improvement of CO2 capture efficiency of amine solutions and low-temperature efficient regeneration is a key issue that urgently needs to be solved in industrial applications. Ce@C (Ce concentration of 0.2 mol/L), Mn@C (Mn concentration of 0.2 mol/L) and xCeyMn@C (x:y = n(Ce):n(Mn)) were prepared by hydrothermal method. Compound alcoholamine absorbents were constructed by monoethanolamine (MEA) and N-methyldiethanolamine (MDEA) as the amine component (total mass of 40 g). The surface morphologies, microstructures and electronic states of the catalysts were characterized by SEM, TEM and XPS, and the CO2 absorption-desorption performances for the compound alcoholamine absorbents with the catalysts were studied. The results show that the compound alcoholamine absorbent (1E2D) composed of MEA and MDEA with mass fractions of 10% and 20%, respectively, has relatively high CO2 absorption-desorption performance, with the CO2 absorption loading amount of 8.648 × 10-2 g/g (absorption temperature of 313.15 K, same below), the CO2 desorption amount of 5.867 × 10-2 g/g (desorption temperature of 363.15 K, same below) and the desorption efficiency of 67.844%. Compared with 1E2D, after adding 1Ce1Mn@C with mass fraction of 0.05% to 1E2D, the CO2 absorption loading amount can be increased by 12.26%, the CO2 desorption amount can be increased by 30.74% and the desorption energy consumption can be reduced by 14.6%. After five continuous cycles, the system exhibits good stability.关键词：CO2 capture;MEA;MDEA;Ce-Mn-based catalysts4|0|0更新时间：2026-07-28 -
摘要：Methane-pyrolyzed carbon, after activation treatment, can be used as an electrode material for supercapacitors, effectively improving the economic efficiency of methane-pyrolyzed processes. Based on this background, research has been conducted on the alkali activation process of methane-pyrolyzed carbon, aiming to optimize the activation conditions and explore the correlation between structures and specific capacitances of activated carbon. Using orthogonal experiments combined with range analysis, the effects of alkali to carbon ratios (m(KOH)/m(methane-pyrolyzed carbon)), activation temperatures, and activation time on the structures and electrochemical performances of activated carbon were investigated. Subsequently, fixing the alkali to carbon ratios and activation time, the effects of activation temperatures on morphologies, textural properties, phases and specific capacitances of activated carbon were analyzed in detail. The results indicate that with the increase of activation temperatures, the specific surface areas of activated carbon show a monotonic increasing trend, while the specific surface areas of micropores show a “volcanic-type” variation. The specific surface area of micropores of C-4-600-2.0 (activated at 600 ℃ for 2.0 h) reaches the maximum value (1120.16 m2/g), and the proportion of micropores (micropore volume/total pore volume) is also relatively large. When the activation temperature further increases, KOH will burn through the micropore walls, promoting the connection of micropores to form a large number of mesopores with diameters exceeding 3 nm. The electrochemical test results demonstrate that specific capacitances of activated carbon are positively correlated with the specific surface areas of micropores, indicating that micropores are the core factor affecting their electrochemical performances. C-4-600-2.0 exhibits the highest specific capacitance (193.71 F/g) in the three-electrode system, and the specific capacitance in the two-electrode system is 176.4 F/g. After 5000 cycles of testing, C-4-600-2.0 maintains excellent electrochemical stability, with a specific capacitance retention rate of 88.72% and a coulombic efficiency of 87.02%.关键词：methane-pyrolyzed carbon;specific capacitances;microporous;activation temperatures7|0|0更新时间：2026-07-28 -
摘要：Precisely regulating the CO2 hydrogenation pathways to achieve high selective synthesis of target products is a highly valuable and challenging research topic in the field of energy conversion. To investigate the regulatory effects of CO -
摘要：Efficient CH4/N2 separation is crucial for the resource utilization of low-concentration coalbed methane. To develop high-performance adsorbents, medium-temperature coal tar pitch (CTP) was used as the carbon precursor and a K2CO3-KCl mixed molten salt system with activation activation, flame-retardant and template functions, was used to prepare coal tar pitch-based porous carbon (CTP-t, where t represents carbonization temperatures) via a one-step carbonization process under air atmosphere. The effects of carbonization temperatures on textural properties, surface chemical properties, and 20%CH4/80%N2 (abbreviated as “CH4/N2” below) adsorption and separation performances of CTP-t were investigated. The results show that CTP-t is rich in micropores structures and oxygen-containing functional groups. The CTP-700 shows the best CH4/N2 adsorption and separation performance with the specific surface area of 863.04 m2/g and micropore porosity of 96%. Its CH4 adsorption capacity is 25.09 cm3/g at 298 K and CH4/N2 adsorption and separation selectivity calculated based on ideal adsorption solution theory (IAST) is 6.27. Dynamic breakthrough tests and pressure swing adsorption simulations confirm that CTP-700 shows a good separation effect on CH4/N2 mixed gas, providing good adsorbent materials and technical supports for efficient utilization of low-concentration coalbed methane.关键词：low-concentration coalbed methane;medium-temperature coal tar pitch;porous carbon;molten salt activation;CH4/N2 adsorption and separation;adsorbents6|0|0更新时间：2026-07-21 -
摘要：Methane is the second most important greenhouse gas after carbon dioxide (CO2), and coalbed methane (CBM), as an important component of unconventional natural gas, is in a critical period of rapid development under the “carbon peaking and carbon neutrality” strategy. To address the insufficient process adaptability of general carbon accounting standards and the lack of measured data covering the entire industrial chain, provincial state-owned CBM enterprises in Shanxi Province were selected as the research objects. Under the life cycle assessment (LCA) framework, an industry-specific carbon emission accounting system covering the full industrial chain was established by integrating equipment information and data from upstream extraction, midstream storage, transportation and processing, and downstream utilization. The results show that the annual net emissions of the whole industrial chain are 1774053.8 t/a (CO2 equivalent), with the upstream, midstream and downstream accounting for 47.8%, 18.7% and 33.5%, respectively. Aggregated by emission sources, direct methane emissions account for 52.5%, indirect emissions account for 34.4% and direct fossil fuel combustion accounts for 13.1%. Segment-specific characteristics indicate that upstream emissions are mainly dominated by methane fugitive emissions from wellheads and gathering stations, the midstream emissions are mainly dominated by fugitive emissions from transmission and distribution, and the downstream is characterized by a high proportion of electricity consumption. Based on the accounting characteristics, pathways involving methane emission reduction, waste heat substitution and clean electricity utilization are proposed. For methane emissions, fugitive emissions are reduced through biomethane substitution, and unrecoverable methane is destroyed using Regenerative Thermal Oxidizer /Regenerative Catalytic Oxidizer units. For fuel and thermal energy utilization, a thermal energy recovery system is established to reduce boiler gas consumption and emissions from purchased heat. On the electricity side, new energy projects are implemented to increase the proportion of green electricity consumption, thereby reducing indirect emissions. The accounting system established in this study exhibits good applicability to the CBM industry. It not only can provide a methodological reference for refined carbon management and carbon asset development of CBM enterprises, but also can provide solid empirical evidence for designing low-carbon transition pathways for the entire industry.关键词：coalbed methane;life cycle assessment;carbon emission accounting;low-carbon pathways5|0|0更新时间：2026-07-21 -
摘要：Under the background of “carbon peaking and carbon neutrality” goals, the development of liquid-liquid phase-change absorbents is of great significance for the development of CO2 capture technologies with low energy consumption and high operational stability. Focusing on the mechanisms of liquid-liquid phase-change absorbents, the phase separation behaviors during the CO2 absorption process were summarized. It was pointed out that the compositions of the system and the intermolecular interactions were closely related to the phase change behaviors. On this basis, recent research advances of liquid-liquid phase-change absorbents were reviewed from two key aspects, namely the reduction of regeneration energy consumption and the regulation of rich-phase viscosity. Furthermore, the major challenges hindering their industrial application, including insufficient phase separation stability, oxidative and thermal degradation and equipment corrosion, were systematically analyzed. To address these challenges, feasible optimization strategies, such as molecular structure design, solvent system optimization and functional additive regulation, were discussed. Finally, future development directions of liquid-liquid phase-change absorbents were prospected.关键词：CO2 capture;coal-fired flue gas;phase-change absorbents;degradation reactions5|0|0更新时间：2026-07-21 -
摘要：Compared with methane dry reforming, propane (C3H8) dry reforming (DRP) has the advantages of lower reaction temperature and higher thermodynamic equilibrium conversion rate. However, the low hydrogen-carbon monoxide ratios (n(H2)/n(CO)) of the product and the easy deactivation of catalysts seriously restrict its industrial application. Although propane steam reforming (SRP) has high reaction activity, the side reaction water-gas shift (WGS) leads to high n(H2)/n(CO) of the product, which is difficult to meet the needs of subsequent synthesis reactions. Taking 1Pt-Al2O3 as as an example, the regulation mechanism of introducing steam (H2O) on the product in propane reforming was systematically investigated. The results show that under 600 ℃ and 0.4%C3H8/1.0%CO2/2.0%H2O (percentage as volume fraction), the C3H8 conversion rate is close to 100%, and n(H2)/n(CO) in products increases to 2.35. Based on the experimental results under 0.4%C3H8/2.0%H2O, it can be inferred that in coupling DRP-SRP, CO2 can effectively inhibit the excessive occurrence of WGS reaction, thereby obtaining a suitable syngas composition, and introducing H2O can significantly improve the catalytic activity and durability of catalysts, attributed to the suppression of Pt sintering. This study can provide important theoretical references for the industrial application of syngas produced by propane reforming.关键词：Pt-based catalysts;propane reforming;coupling reaction;syngas;hydrogen-carbon monoxide ratios12|0|0更新时间：2026-07-10 -
摘要：Methane dry reforming (DRM) can convert CH4 and CO2 into syngas, realizing the resource utilization of greenhouse gases and alleviating the energy crisis. Ni-ZrO2 catalysts have been extensively used in DRM reaction owing to their high activity and low cost. Calcination temperatures, as a key preparation parameter, directly affect the structures and catalytic performances of catalysts. Ni-ZrO2 catalysts with different calcination temperatures (700 ℃, 800 ℃ and 900 ℃) were prepared by coprecipitation method, and characterized by methods such as XRD, TEM, and H2-TPR. The optimal calcination temperature was selected and the effects of calcination temperatures on the structures of Ni-ZrO2 catalysts and their catalytic performances for DRM reaction were clarified. The results show that under the calcination temperature of 800 ℃, moderate Ni-ZrO2 interactions are constructed, and more importantly, m-ZrO2/c-ZrO2 mixed phase heterointerfaces to uniformly anchor Ni nanoparticles are constructed. Under the conditions of 800 ℃, atmospheric pressure and a space velocity of 36000 mL/(g·h) for 25 hours, the CO2 and CH4 conversion rates achieve 88% and 81%, respectively, with Ni-ZrO2-800, and this catalyst maintains high activity and stability. In contrast, Ni-ZrO2-700 and Ni-ZrO2-900 exhibit low activity and stability, which is attributed to the insufficient heterointerface sites for anchoring Ni species and the excessive encapsulation of Ni species. Therefore, at the optimal calcination temperature of 800 ℃, the catalytic activity and stability of catalysts can be improved by constructing a mixed phase heterogeneous interface and moderate metal-support interactions. This study can provide theoretical support for the optimization of the preparation process and industrial application of Ni-ZrO2 catalysts in the future.关键词：methane dry reforming;calcination temperatures;ZrO2 heterointerfaces;carbon spillover;oxygen vacancies14|0|0更新时间：2026-07-08 -
摘要：With the booming market of biomass-derived aviation kerosene, Fischer-Tropsch (FTS) technology has once again become a research hotspot. Coprecipitated iron-based catalysts currently used in industrial applications suffer from poor mechanical strength, which easily leads to structural collapse of catalysts and reactor clogging. In view of the promising application potential of supported iron-based catalysts in FTS, recent research progress on supports for supported iron-based FTS catalysts was reviewed. Firstly, the research status of oxide and carbon-based supports was summarized, then the two types of supports from the perspectives of structural characteristics, modification strategies and catalytic mechanisms were analyzed. Finally, the future developments of supports for supported iron-based catalysts were prospected.关键词：Fischer-Tropsch synthesis;iron-based catalysts;oxide supports;carbon-based supports12|0|0更新时间：2026-07-08 -
摘要：The efficient selective separation of lithium ions (Li+) from high-magnesium-lithium ratio salt lake brine is a key issue that urgently needs to be addressed in the development of the salt lake lithium extraction industry in China. Electrochemically switched ion permselectivity (ESIP) technology, by integrating ion selective recognition and continuous permeation transport mechanisms, provides an effective approach for the efficient, continuous and selective separation of Li+. To address the inherent insufficient conductivity and poor film-forming performance of lithium manganese oxide (LMO), a SPS/LMO/CNT ternary composite membrane electrode was designed and prepared using sulfonated polystyrene (SPS) as the binding matrix, carbon nanotubes (CNT) as the conductive framework, and LMO as the Li+ selective recognition unit. The membrane electrode was applied in an ESIP system to systematically investigate its electrochemical response mechanism and Li+ separation performance. The results demonstrate that the SPS/LMO/CNT membrane not only exhibits a synergistic response behavior of electric double-layer capacitance and pseudocapacitance, but also enables reversible deintercalation and intercalation of Li+. Under the optimal LMO loading amount (400 mg), the Li+ removal rate of the SPS/LMO/CNT membrane reaches 67.86%. In the coexisting system of Li+ and magnesium ions, the Li+ selectivity of the SPS/LMO/CNT membrane is higher than 20, demonstrating excellent Li+ selective recognition and migration capabilities. Meanwhile, the dense cross-linked network structure formed by the interactions among SPS, LMO and CNT endows the membrane with good cycling stability, enabling five consecutive Li+ separation cycles.关键词：lithium ion;electrochemically switched ion permselectivity;SPS/LMO/CNT;selective separation16|0|0更新时间：2026-07-03 -
摘要：As a key technology for achieving carbon reduction, CO2 capture, storage, and utilization is playing an increasingly important role. However, CO2 capture using traditional porous liquids faces problems such as dependence on organic solvents, high cost and environmental unfriendliness. Using ZIF-8 as the adsorption medium, stabilizers were screened, and the mass ratios of stabilizers to ZIF-8 and the ZIF-8 solid contents (m(ZIF-8)/(m(ZIF-8) + m(water))) were adjusted. The ZIF-8/aqueous phase porous adsorption system was constructed, and its CO2 adsorption performance was tested. The results show that polyvinyl alcohol (PVA) is the preferred stabilizer. When m(PVA):m(ZIF-8) = 1.0:0.5 and the ZIF-8 solid content of 5%, the system exhibits good fluidity and dispersion stability, achieving a CO2 adsorption capacity of 0.663 mmol/g at ambient temperature and pressure (25 °C, 101.3 kPa). After five adsorption/desorption cycles, the CO2 adsorption capacity remains above 86% of the initial CO2 adsorption capacity. This study will provide new ideas for developing low-cost, low-energy and environmentally friendly CO2 capture systems.关键词：ZIF-8/aqueous phase;CO2 capture;polyvinyl alcohol;CO2 adsorption systems12|0|0更新时间：2026-07-03 -
摘要：In the process of methanol production from biomass gasification, the adjustment of hydrogen-to-carbon ratio of syngas serves as the key of entire process. It directly determines the carbon atom utilization efficiency, energy consumption level and ultimately the economic benefits of process. Based on a biomass syngas processing capacity of 75000 m3/h (standard conditions), the green hydrogen coupling process, shift-low methanol synergistic process, shift-pressure swing adsorption (PSA) synergistic process and shift-N-methyldiethanolamine (MDEA) synergistic process were synthetically analyzed. The results indicate that under the current technological level and market pricing system, the shift-MDEA synergistic process demonstrates the lowest investment intensity and excellent operational economy, with the investment per unit capacity of 4032 CNY/(t·a), the financial internal rate of return of 35.26% and the dynamic payback period of 5.10 a. Although the green hydrogen coupling process has a high carbon utilization rate and potential for negative carbon emissions, its economic viability is highly dependent on the cost of green hydrogen and it is a long-term strategic technology.关键词：biomass gasification;green methanol;hydrogen-to-carbon ratio adjustment;green hydrogen18|0|0更新时间：2026-07-03 -
摘要：Highly efficient and low-cost deep removal of trace formic acid impurities in hydrogen produced by formic acid decomposition has important applications in the development of formic acid hydrogen production technology. A series of adsorbents with different triethanolamine loadings (mass fractions) were prepared by the impregnation method using industrial coal-based activated carbon as the support. The physicochemical properties of the coal-based activated carbon before and after modification were characterized by XRD, N2 adsorption/desorption, FT-IR and elemental analysis. The effects of triethanolamine loading on the structure, properties and adsorption performance of the adsorbents for formic acid in hydrogen were investigated. The cyclic performance of the adsorbents was evaluated, and the mechanism for formic acid removal was analyzed in combination with FT-IR. The results show that the formic acid adsorption capacities of the modified adsorbents prepared with different triethanolamine loadings are mainly related to the specific surface area of the coal-based activated carbon and the nitrogen-containing functional groups on the surface. An increase in specific surface area is beneficial for the loading of active components, while the surface-loaded triethanolamine enhances the chemical adsorption performance. Among them, when the triethanolamine loading is 5%, the prepared adsorbent exhibits a relatively large specific surface area (774 m2/g), and the mass fraction of N increases from 0.25% (for the coal-based activated carbon support) to 0.68%, showing the best adsorption performance for formic acid in hydrogen. At an adsorption temperature of 30 ℃ and a hydrogen gas hourly space velocity of 1000 h-1, the breakthrough adsorption capacity for formic acid reaches 701 mg/g, which is 5.35 times that of the unmodified coal-based activated carbon. After three regeneration cycles, the adsorption capacity remains at 694 mg/g. This is attributed to the reaction between formic acid and triethanolamine to form triethanolamine formate, which significantly enhances the formic acid adsorption performance of the adsorbent. This study provides a new strategy for the adsorption purification of trace formic acid impurities in hydrogen produced by formic acid decomposition.关键词：coal-based activated carbon;triethanolamine;adsorption;formic acid;hydrogen10|0|0更新时间：2026-06-29 -
摘要：In the technical approach to meeting the China VI emission standards for heavy-duty diesel vehicles, the active regeneration of diesel particulate filter (DPF) subjects the downstream ammonia selective catalytic reduction (NH3-SCR) catalysts to a high-temperature hydrothermal environment. Therefore, developing catalyst with stable comprehensive performance under such conditions holds significant application value. The hydrothermal deactivation mechanisms and stability enhancement strategies of NH3-SCR catalysts were systematically reviewed. Firstly, focusing on zeolite catalysts, the synergistic deactivation mechanism caused by hydrothermal aging, which involves framework dealumination, migration and aggregation of active metal species, was analyzed. Subsequently, for metal oxide catalysts, the intrinsic thermal deactivation essence, which includes carrier phase transformation, active phase crystallization and loss of surface active sites was elucidated. Based on this, the main strategies for enhancing hydrothermal stability were summarized, including zeolite composition optimization, additive addition and framework structure regulation. Finally, the development prospects of NH3-SCR catalysts with high hydrothermal stabilities in the future were prospected.关键词：NH3 selective catalytic reduction;hydrothermal stabilities;zeolite catalysts;metal oxide catalysts19|0|0更新时间：2026-06-29 -
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 interactions19|0|0更新时间：2026-06-24 -
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 network15|0|0更新时间：2026-06-23 -
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 mechanism44|0|0更新时间：2026-06-18
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