Journal of The Energy Institute最新文献

{"title":"NO and PM formation characteristics during preheating-combustion of semi-coke produced by coal pyrolysis at different temperatures","authors":"Chen Wang,&nbsp;Ying Yu,&nbsp;Runjie Hu,&nbsp;Yanqing Niu","doi":"10.1016/j.joei.2025.102168","DOIUrl":"10.1016/j.joei.2025.102168","url":null,"abstract":"<div><div>Preheating-combustion technology is widely applied in boilers for coal/coke combustion, which has great potential for synergistic reduction of PM and NO. In this study, coal was pyrolyzed at different temperatures (300 °C, 900 °C, and 1100 °C) to produce semi-coke, followed by conventional and preheating-combustion experiments conducted in a two-stage drop-tube furnace. The effects of pyrolysis temperatures and combustion modes on PM and NO formation were investigated. The results showed that preheating-combustion technology enabled synergistic source control of NO and PM emissions. Compared to conventional combustion mode, the reducing atmosphere in preheating-combustion was stronger, and the mineral gasification and the fragmentation of char were weaker. Therefore, the emissions of NO, PM₁, and PM_1-10 in raw coal decreased by 31.09 %, 13.85 %, and 5.17 % respectively. Furthermore, higher pyrolysis temperatures further decreased NO and PM emissions under conventional combustion mode. Compared to raw coal, the NO, PM₁, and PM_1-10 emissions of semi-coke pyrolyzed at 1100 °C (1100 °C-SC) were reduced by 27.40 %, 21.30 %, and 14.41 %, respectively, due to more stable nitrogen forms and increased porosity. More interestingly, compared to conventional combustion mode, the reduction rates of NO and PM showed opposite trends under preheating-combustion mode. With the increase of pyrolysis temperatures, the reduction rate of NO gradually decreased and reached a minimum of 14.85 % for 1100 °C -SC. Whereas, the reduction rates of PM₁ and PM_1-10 gradually increased and reached maximum values of 18.25 % and 10.17 %, respectively, for 1100 °C-SC. The results provided critical theoretical foundations and technical support for the large-scale application of preheating-combustion technology, highlighting its pivotal role in advancing clean coal combustion.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102168"},"PeriodicalIF":5.6,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic pyrolysis mechanism of polypropylene and common plastics with biomass investigated by TG-MS and in-situ FTIR","authors":"Yueping Liu ,&nbsp;Suning Li ,&nbsp;Yongcheng Yang ,&nbsp;Yongxiang Liang ,&nbsp;Fei Wang ,&nbsp;Xuetong Li ,&nbsp;Deng Zhao ,&nbsp;Yanjun Lu ,&nbsp;Hui Liu ,&nbsp;Shuai Guo","doi":"10.1016/j.joei.2025.102158","DOIUrl":"10.1016/j.joei.2025.102158","url":null,"abstract":"<div><div>The aim of this study is to investigate the role of different carbon-based structures on the pyrolysis pathway and gas product distribution of polypropylene (PP). Using in situ DRIFTS coupled with thermogravimetric mass spectrometry, this study investigated the synergistic mechanisms between polypropylene (PP) and common plastics and biomass at the molecular level. The following mechanisms were revealed: 1) Polyethylene erephthalate (PET) induces demethylation of PP through oxygenated fragments, which weakens the stability of its main chain and synergistically reduces the pyrolysis temperature. The high-temperature polyene structure of polyvinyl chloride (PVC) promotes further breakage of the PP main chain, synergistically driving the directional conversion of gas products to unsaturated hydrocarbons and chlorine-containing compounds. The phenyl groups in polystyrene (PS) trigger PP activation at low temperatures, improving the yield of toluene gas. 2) PP inhibits the decomposition of blended components through physical entanglement at low temperatures. At high temperatures, polyenes, phenyl groups and other cleavage products reorganize with PP hydroxyl fragments, promoting the enrichment of olefins, aromatics and chlorinated compounds. 3) In PP-biomass systems, it is hypothesized that the PP pyrolysis pathway is altered, enhancing the selectivity for short-chain hydrocarbons and monocyclic aromatics. This effect is likely mediated through ash-catalyzed reactions and induction by oxygen-containing fragments. This study employs in situ Fourier-transform infrared (FTIR) spectroscopy to monitor in real time the molecular-level evolution of PP-based mixed waste plastics and biomass pyrolysis, revealing fundamental carbon-chain structure-property relationships. These findings establish a mechanistic framework for the rational design of high-efficiency pyrolysis systems with precisely controlled product distributions through synergistic interactions.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102158"},"PeriodicalIF":5.6,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fabrication and catalytic evaluation of Ti incorporated Co-phyllosilicate catalyst for hydrogen production over glycerol steam reforming","authors":"Chunsheng Wang,&nbsp;Xueyu Ren,&nbsp;Hongxia Cao,&nbsp;Dejin Zhang","doi":"10.1016/j.joei.2025.102149","DOIUrl":"10.1016/j.joei.2025.102149","url":null,"abstract":"<div><div>The regulation of Co-TiO_2-x interaction was investigated to reveal the performance enhancement of <em>x</em>Ti@Co/SEP catalysts during glycerol steam reforming. Comprehensive investigations manifested that well-dispersed anatase closely contacted with the Co⁰ nanoparticles exsolved from the phyllosilicate precursor by adjusting Ti incorporation content and heat treatment temperature. The formed TiO_2-x-O_v-Co⁰ interface could effectively decrease catalyst acidity, control metal particle size, and optimize carbonyl adsorption, resulting in an evident activity and stability enhancement on the catalyst. Moreover, the TiO_2-x suboxide brought about abundant oxygen vacancies around Co⁰ nanoparticles for coke gasification. Experiment results confirmed that 0.24Ti@Co/SEP-700 catalyst possessed an optimal activity with a maximum conversion(97.2 %) and H₂ yield(81.6 %) at 700 °C and a better stability at 600 °C. Because of the dispersion effect of residual Co-phyllosilicate, the homogeneous anatase phase was free of phase transformation and thermal aggregation, thus stabilizing interface sites during the reforming process. It's contributed to an attenuated metal sintering and slight coke deposition. Therefore, the metal-oxide interaction regulation via a TiO_2-x-O_v-Co⁰ interface were illustrate as a new strategy for robust catalyst design.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102149"},"PeriodicalIF":5.6,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144108251","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The relationship between the moderate or intense low oxygen dilution (MILD) regime and NO formation in the co-combustion of NH3 with bituminous coal","authors":"Xiaojian Zha ,&nbsp;Zewu Zhang ,&nbsp;Zhenghong Zhao ,&nbsp;Long Yang ,&nbsp;Wenchao Mao ,&nbsp;Guanfei Lai ,&nbsp;Cong Luo ,&nbsp;Liqi Zhang","doi":"10.1016/j.joei.2025.102156","DOIUrl":"10.1016/j.joei.2025.102156","url":null,"abstract":"<div><div>NH₃/coal co-combustion technology presents an effective technical pathway to rapidly and largely reducing CO₂ emissions in coal-fired power plants. To mitigate the challenges of combustion instability and elevated NO_<em>x</em> emissions in NH₃/coal co-combustion, the moderate or intense low oxygen dilution (MILD) combustion technology, which has stronger stability and lower NO_<em>x</em> emissions, is applied to NH₃/coal co-combustion. To further clarify the internal relationship between the establishment of the MILD combustion regime and the reduced NO_<em>x</em> formation, the internal recirculation distribution in the furnace is reconstructed by adjusting the injection angles (α) and injection distances (<em>l</em>) of fuel jets. The relationship between the two is then discussed from the perspectives of combustion stability, turbulence–chemistry interaction, and particle reaction behaviors. Results show that increasing α or <em>l</em> reduces the temperature fluctuation in the main reaction zone by enhancing the recirculation level (<em>K</em>_<em>v</em>) upstream of the furnace, and leads to a more stable and milder combustion status. As <em>K</em>_<em>v</em> increases, the oxidation reaction rates of volatiles and char particles decrease, and their burnout time is extended. The combustion behaviors of char shift from being <em>C</em>_{<em>char</em>}<em>-O</em>_<em>2</em> dominated to being <em>C</em>_{<em>char</em>}<em>-O</em>_<em>2</em> and <em>C</em>_{<em>char</em>}<em>-H</em>_<em>2</em><em>O/CO</em>_<em>2</em> co-dominated, and the consumption mode of NH₃ changes from being NH₃-O₂ dominated to being NH₃-O₂ and NH₃-NO co-dominated. When α increases to +10°, the NO emission at the furnace outlet is about 860 ppm at 40 cal% NH₃ blending ratio, which is 40.2 % less than that in the initial burner arrangement with α of 0°. With the enhancement of the MILD regime, the char gasification and NH₃ reduction reactions both increase and the non-oxidizing behaviors of coal and NH₃ are greatly promoted, thus preventing the oxidation of fuel-N.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102156"},"PeriodicalIF":5.6,"publicationDate":"2025-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144090630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning for product distribution prediction of one-step pyrolysis model of coal","authors":"Qi Chen,&nbsp;Peixuan Xue,&nbsp;Zhao Yang,&nbsp;Chun Wang,&nbsp;Haiping Yang,&nbsp;Shihong Zhang","doi":"10.1016/j.joei.2025.102152","DOIUrl":"10.1016/j.joei.2025.102152","url":null,"abstract":"<div><div>Pyrolysis is the first step in the coal fluidized bed thermo-chemical conversion process, and its product distribution directly affects subsequent gasification and combustion processes. Accurate prediction of the one-step pyrolysis product distribution under different operating conditions and coal ranks is of significant importance for numerical simulations. In this study, a machine learning (ML) approach was employed to predict the pyrolysis product distribution in the one-step pyrolysis mode with 151 experimental datasets from various coal ranks. It was found that the XGBoost model exhibited the best overall predictive performance. After pruning and regularization optimization, the model's predictive capability was further enhanced, achieving an R² of 0.921 and reducing the RMSE to 3.026. Compared with empirical model, the ML model produced predictions that were more consistent with experimental data across three different coal ranks and successfully captured the temperature-dependent variations in pyrolysis product distributions. Regarding input feature importance, carbon (C), hydrogen (H), and oxygen (O) contents, along with temperature (<em>T</em>), were identified as the most critical factors influencing the distribution of three-phase pyrolysis products and gas composition. Additionally, particle diameter (<em>d</em>_<em>p</em>) was found to play a significant role in predicting the concentrations of CO₂, H₂, and CH₄. Furthermore, this study provides insights into the application of the one-step pyrolysis model and the adjustment of product distribution strategies, as well as theoretical guidance for optimizing fluidized bed reactor operation.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102152"},"PeriodicalIF":5.6,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144108249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of Cu/Zn/Al2O3 and Cu-Ga/Zn/Al2O3 catalysts using response surface methodology for methanol steam reforming for hydrogen production","authors":"Punampriya Borgohain ,&nbsp;Pankaj Tiwari ,&nbsp;Rajesh Kumar Upadhyay","doi":"10.1016/j.joei.2025.102155","DOIUrl":"10.1016/j.joei.2025.102155","url":null,"abstract":"<div><div>Methanol steam reforming (MSR) is a highly efficient method for hydrogen production that offers a high hydrogen yield at relatively low operating temperatures. However, enhancing catalyst performance is essential to improve efficiency and reduce byproduct formation. This study utilized response surface methodology (RSM) with the Box-Behnken design (BBD) to systematically optimize the key factors affecting catalyst efficiency. CuZnAl₂O₃ (CZA) and CuGaZnAl₂O₃ (CGZA) catalysts were synthesized and tested for their activity, selectivity, and stability under different reaction conditions, including temperature, steam-to-methanol ratio (S/C), and gas hourly space velocity (GHSV). The statistical model developed using BBD provided valuable insights into the interaction between these variables, allowing for the identification of optimal conditions. The highest hydrogen yield of 2.28 mol was achieved while keeping carbon monoxide formation at a minimal 0.12 % under the optimized conditions of 275 °C, a S/C ratio of 2, and a GHSV of 14,500 hr⁻¹ for CGZA catalyst. The developed model was validated through experimental trials, demonstrating strong agreement between predicted and observed values. Additionally, catalyst characterization using techniques such as XRD, BET, Raman, SEM-EDX, TEM, TGA, and XPS confirmed structural and surface modifications contributing to catalytic performance. The study highlighted the effectiveness of RSM-BBD in catalyst optimization, offering a systematic and cost-effective approach to advancing hydrogen production technologies. Moreover, the Ga-modified Cu-based catalysts showed highly promising results for efficient and stable hydrogen production via MSR, with improved resistance to coke formation and deactivation.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102155"},"PeriodicalIF":5.6,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144115474","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Superior stability of Ca-La co-doped Ni/BN catalyst for biogas reforming to methanol syngas","authors":"Zuhao Li ,&nbsp;Zetao Huang ,&nbsp;Bing Han ,&nbsp;Yongyue Wang ,&nbsp;Zhige Zhang ,&nbsp;Tao Tan ,&nbsp;Jun Xie ,&nbsp;Yong Chen","doi":"10.1016/j.joei.2025.102154","DOIUrl":"10.1016/j.joei.2025.102154","url":null,"abstract":"<div><div>Ni-based catalysts are often easily deactivated during biogas reforming due to sintering, carbon deposition and other reasons. In this study, Ni was used as the active component and BN was used as the carrier to explore the doping of Ca, Ce and La to enhance the basicity of the catalyst. Ca, Ce and La can form Ca₂BO₄, CeBO₃, LaBO₃ and the like with the carrier BN while improving the dispersibility of the active components. The co-doping of Ca and La not only forms gradient alkaline sites, but also improves the interaction between the active components and the carrier, promotes the adsorption of CO₂ and carbon deposition activation, and improves the thermal stability of the catalyst. In addition, the effects of doping La and co-doping CaLa on the activity and stability of the catalyst were compared. Characterization results such as XRD, XPS, TG, TEM, Raman, H₂-TPR and CO₂-TPD show that NiCaLaCeBN has more alkaline adsorption sites and stronger thermal stability than NiLaCeBN. Under the conditions of reaction temperature of 800 °C, WHSV = 31,310 mLg_Cat⁻¹h⁻¹, CH₄:CO₂:N₂:H₂O molar ratio of 3:2:1:2, the conversion rate of NiCaLaCeBN catalyst is about 95 % (CH₄), 54 % (CO₂), and the product H₂/CO ratio is close to 2. After continuous operation for 200 h, it still maintains excellent activity and stability.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102154"},"PeriodicalIF":5.6,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144108250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly selective catalytic transfer hydrodeoxygenation of lignin-derived phenols over carbon-encapsulated cobalt catalyst","authors":"Hui Li ,&nbsp;Peng Liu ,&nbsp;Fei Ge ,&nbsp;Wenlin Xu ,&nbsp;Minghao Zhou","doi":"10.1016/j.joei.2025.102153","DOIUrl":"10.1016/j.joei.2025.102153","url":null,"abstract":"<div><div>The catalytic transfer hydrodeoxygenation (CTHDO) technology of lignin-derived bio-oil is a very promising bio-oil conversion technology. However, the preparation of highly active and stable catalysts remains a major challenge. Carbon-coated metal nanoparticle catalysts can effectively solve the problems of catalyst deactivation and high-temperature metal leaching. In this work, a series of MOF-derived carbon-coated Co-based catalysts were designed via a simple solvothermal method using terephthalic acid as organic ligands, which were applied for the CTHDO reaction of guaiacol using isopropanol as H-donor. Among them, Co/C-2-500 had the best catalytic performance for the conversion of lignin-derived phenol to cyclohexanol. Under the optimal conditions of 180 °C, 0.5 MPa N₂, and 3 h, the conversion rate of guaiacol can reach 100 %, and the yield of cyclohexanol can reach 96.8 %. Mechanism research showed that the phenol generated from the demethoxylation of guaiacol was a key intermediate, which further underwent the hydrogenation of aromatic ring to form cyclohexanol. Based on the various characterizations, it can be considered that the high catalytic activity was due to the synergistic effect of the metallic Co⁰ active sites and the acid sites. This research could provide some insights for the catalytic transfer hydrodeoxygenation of lignin and its derivatives.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102153"},"PeriodicalIF":5.6,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144090634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic reduction of PM and NOx in different preheating co-firing modes of coal and biomass","authors":"Ying Yu ,&nbsp;Liang Xu ,&nbsp;Yanqing Niu","doi":"10.1016/j.joei.2025.102151","DOIUrl":"10.1016/j.joei.2025.102151","url":null,"abstract":"<div><div>To achieve a deep-source reduction in particulate matter (PM) and nitrogen oxide (NO<em>x</em>) emissions, this study, for the first time, applied preheating technology to different co-firing modes of coal and biomass, namely fuel staging, biomass reburning, and air staging. Experiments were conducted on a two-stage drop-tube furnace system with a layout adjusted to fit different combustion modes. Preheating evidently reduced PM₁, PM_1–10, and NO<em>x</em> emissions during the single-firing of Huangling coal (HL), wheat straw (WS), or sawdust (SD). While PM_1–10 emissions showed an increasing linear relationship with the ash content of fuels, the reduction rates of PM₁ and NO<em>x</em> emissions were directly proportional to the volatile content. Furthermore, PM₁, PM_1–10, and NO<em>x</em> emissions in the preheating co-firing of SD with HL were lower than those in the preheating single-firing of HL, regardless of being coupled with fuel staging. Compared with the simultaneous feeding of HL and SD, when SD was fed first, the reduction rate of PM₁ emissions increased, whereas that of PM_1–10 and NO<em>x</em> emissions decreased. In contrast, when HL was fed first, the reduction rate of PM₁ emissions decreased, whereas that of NO<em>x</em> emissions increased. More interestingly, compared with the conventional biomass reburning mode, the mode of coal preheating biomass reburning reduced PM₁, PM_1–10, and NO<em>x</em> emissions by 13.23 %, 9.09 %, and 25.86 %, respectively, and its coupling with air staging reduced NO<em>x</em> emissions to 96 mg/m³.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102151"},"PeriodicalIF":5.6,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144108248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Methane/ammonia co-pyrolysis interaction and hydrogen generation mechanisms: A molecular dynamics study","authors":"Yu Huang ,&nbsp;Ziyi Ding ,&nbsp;Wen Xiong ,&nbsp;Mingyan Qin ,&nbsp;Fei Peng","doi":"10.1016/j.joei.2025.102150","DOIUrl":"10.1016/j.joei.2025.102150","url":null,"abstract":"<div><div>Ammonia replacing part of methane can significantly reduce CO₂ emission during their co-combustion. Pyrolysis is the vital stage of co-combustion, profoundly affects the combustion characteristics of methane/ammonia mixtures. In this study, the reactive molecular dynamics (ReaxFF MD) method was used to study methane pyrolysis, ammonia pyrolysis, and methane/ammonia co-pyrolysis. Firstly, by comparing the reaction rates of methane and ammonia at different temperatures and ammonia blending ratios, it was found that increasing the temperature and ammonia blending ratio both promote methane pyrolysis. In addition, analyzing the activation energies of methane/ammonia co-pyrolysis and methane and ammonia pyrolysis separately, it was found that ammonia has a promoting effect on methane pyrolysis. Then, by comparing the changes in the amount of hydrogen under different conditions, it was found that methane/ammonia co-pyrolysis generated more hydrogen. Furthermore, the hydrogen atoms in the hydrogen gas were traced using atomic labeling method. The results showed that the reason for the increase in hydrogen could be divided into two parts: the first 500ps were mainly attributed to the interaction between methane and ammonia, generating more coupled hydrogen, while the last 500ps were dominated by the promoting effect of ammonia gas on methane pyrolysis, and both reasons jointly promoted the generation of hydrogen. Finally, the pathways of hydrogen generation during methane/ammonia co-pyrolysis were analyzed, and it was found that NH₃ + H → NH₂ + H₂ and CH₄ + H → CH₃ + H₂ were the main pathways of hydrogen generation during methane/ammonia co-pyrolysis.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102150"},"PeriodicalIF":5.6,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}