Journal of Analytical and Applied Pyrolysis最新文献

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Comprehensive insights into polycarbonate (PC) pyrolysis mechanisms: Reaction pathways and formation processes of phenolics, gases, dibenzofuran, xanthone 对聚碳酸酯(PC)热解机理的全面了解:酚类物质、气体、二苯并呋喃、山酮的反应途径和形成过程
IF 6.2 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-30 DOI: 10.1016/j.jaap.2025.107313
Liming Tai , Yang Long , Shi Yan , Yan Zhu , Jinbao Huang , Hong Wang , Jiankai Ou , Wenjing Duan
{"title":"Comprehensive insights into polycarbonate (PC) pyrolysis mechanisms: Reaction pathways and formation processes of phenolics, gases, dibenzofuran, xanthone","authors":"Liming Tai ,&nbsp;Yang Long ,&nbsp;Shi Yan ,&nbsp;Yan Zhu ,&nbsp;Jinbao Huang ,&nbsp;Hong Wang ,&nbsp;Jiankai Ou ,&nbsp;Wenjing Duan","doi":"10.1016/j.jaap.2025.107313","DOIUrl":"10.1016/j.jaap.2025.107313","url":null,"abstract":"<div><div>In order to deeply explore the pyrolysis mechanism of polycarbonate (PC) and the evolution of products, in this paper, carbonate dimer was used as a model compound of PC and its degradation processes were comprehensively studied through quantum chemical calculations. The calculations results show that in the initial stage of degradation, the end-carboxyl group of PC is most susceptible to decarboxylation via concerted reaction with an energy barrier of 155.5 kJ/mol, followed by the scission of the C-CH<sub>3</sub> bond of the alkane chain and the C-O bond of the carbonate group, with bond dissociation energies of 301.5 and 344.5 kJ/mol. The involvement of H radical significantly promotes the reactivity in bimolecular reaction system, and the energy required to scission the C-CH<sub>3</sub> bond and the C-O bond was reduced to 121.7 and 153.3 kJ/mol, respectively. The addition of H radicals on the benzene ring observably reduces the activation energy for bridge bond breaking, with energy barriers of 36.1 and 39.0 kJ/mol. The final degradation products mainly include a variety of phenolic compounds (e.g., phenol, bisphenol A, etc.), and gaseous products such as CO<sub>2</sub> and CO. CO<sub>2</sub> is mainly generated through concerted decarboxylation reaction, while CO is formed by the decarbonylation reaction of the radical IM14. The formation of dibenzofuran is mainly achieved through the reaction of H radicals or CH<sub>3</sub> radicals with diphenyl ether, and the evolutionary mechanism of xanthone is proposed.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"192 ","pages":"Article 107313"},"PeriodicalIF":6.2,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144739412","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
End-group analysis of polycarbonates using evolved gas analysis-time-of-flight mass spectrometry combining principal component analysis and Kendrick mass defect analysis 利用演化气分析-飞行时间质谱结合主成分分析和Kendrick质量缺陷分析对聚碳酸酯进行端基分析
IF 6.2 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-30 DOI: 10.1016/j.jaap.2025.107311
Sayaka Nakamura , Hiroaki Sato , Takato Ishida , Hideaki Hagihara , Hideyuki Shinzawa , Ryota Watanabe
{"title":"End-group analysis of polycarbonates using evolved gas analysis-time-of-flight mass spectrometry combining principal component analysis and Kendrick mass defect analysis","authors":"Sayaka Nakamura ,&nbsp;Hiroaki Sato ,&nbsp;Takato Ishida ,&nbsp;Hideaki Hagihara ,&nbsp;Hideyuki Shinzawa ,&nbsp;Ryota Watanabe","doi":"10.1016/j.jaap.2025.107311","DOIUrl":"10.1016/j.jaap.2025.107311","url":null,"abstract":"<div><div>This paper introduces a novel method that uses evolved gas analysis with time-of-flight mass spectrometry coupled with field ionization (EGA-FI-TOFMS) to analyze the end-group structures of polycarbonate. To validate the analytical method, polycarbonates featuring two different types of end groups—tert-butylphenol and cumyl phenol—were analyzed. A data mining technique combining principal component analysis (PCA) and Kendrick mass defect (KMD) analysis was applied to the temperature-dependent mass spectra obtained from EGA-FI-TOFMS to extract key mass information related to specific evolved products arising from the end-group structures of the polycarbonate samples. The products derived from the polymer ends were selectively detected during the early stages of pyrolysis because the terminus-derived products resulted from a single cleavage of the polymer chain. The newly developed method, which integrates EGA-FI-TOFMS, PCA, and KMD analysis, provides insights into the end-group structures of polymer materials without requiring prior knowledge. This capability is particularly advantageous for analyzing industrial polymer materials, for which such prior knowledge is often unavailable.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"192 ","pages":"Article 107311"},"PeriodicalIF":6.2,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144757838","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Changes in the free radical concentration and carbon structure of coke during the coal coking process 煤炼焦过程中焦炭中自由基浓度和碳结构的变化
IF 6.2 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-29 DOI: 10.1016/j.jaap.2025.107312
Xinni Zhao , Hanwen Zhu , Hengguang Xu , Lu Tian , Peng Yu , Joseph Appiah , Xiuli Xu , Jinxiao Dou , Jianglong Yu
{"title":"Changes in the free radical concentration and carbon structure of coke during the coal coking process","authors":"Xinni Zhao ,&nbsp;Hanwen Zhu ,&nbsp;Hengguang Xu ,&nbsp;Lu Tian ,&nbsp;Peng Yu ,&nbsp;Joseph Appiah ,&nbsp;Xiuli Xu ,&nbsp;Jinxiao Dou ,&nbsp;Jianglong Yu","doi":"10.1016/j.jaap.2025.107312","DOIUrl":"10.1016/j.jaap.2025.107312","url":null,"abstract":"<div><div>Free radical concentration and gas release significantly influence coal's coking behavior and cross-linking structure, warranting dedicated research.Matou coking coal (MT) and Yanzhou West gas coal (YZX) were selected for the coking experiments using coke ovens in this study. Herein, the changes in free radical concentration and contents of gas components in the colloidal layers of the MT and YZX coals were analyzed by gas chromatography (GC) and electron spin magnetic resonance spectroscopy (ESR). Results showed that in the formation of the colloidal layer, the cleavage of fatty side chains and oxygen-containing functional groups produces CH<sub>4</sub> and CO<sub>2</sub>. When entering the later stage of the formation of the colloidal layer, the active sites on the aromatic clusters begin to bind to each other and amorphous carbon participates in the polycondensation reaction, producing a large amount of H<sub>2</sub>. Some of the pyrolysis products undergo secondary pyrolysis reactions,while some aliphatic strutures containing oxygen-containing heterocycles decompose to form CO. The g-value is a characteristic parameter in ESR spectroscopy that measures the interaction between electron spin and the magnetic field, while ΔHₚ₋ₚ represents the peak-to-peak linewidth of the ESR spectrum, serving as an important parameter to measure spectral broadening.The ESR spectrum shows that the stable free radical concentration of coking coal increased in the colloidal layer stage and the condensation and crosslinking reactions between the aromatic structures in the char region exposed the stable free radicals and transformed them into active free radicals. The characteristic parameters (g value and ΔH<sub>p-p</sub>) of the ESR spectrum exhibited good regularity in the glial phase, With a correlation between the g value and the full width at half-maximum of the G peak and ΔH<sub>p-p</sub> having a good correlation with the relative content of π→π* transitions in the later stage of the glial phase.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"192 ","pages":"Article 107312"},"PeriodicalIF":6.2,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pyrolysis of different types and sections of end-of-life tyres: Kinetics and experiments to improve product quality 不同型号和型号的废旧轮胎热解:提高产品质量的动力学和实验
IF 6.2 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-28 DOI: 10.1016/j.jaap.2025.107309
Alberto Sanchís, María Victoria Navarro, Alberto Veses, Juan Daniel Martínez, María Soledad Callén, José Manuel López, Tomás García, Ramón Murillo
{"title":"Pyrolysis of different types and sections of end-of-life tyres: Kinetics and experiments to improve product quality","authors":"Alberto Sanchís,&nbsp;María Victoria Navarro,&nbsp;Alberto Veses,&nbsp;Juan Daniel Martínez,&nbsp;María Soledad Callén,&nbsp;José Manuel López,&nbsp;Tomás García,&nbsp;Ramón Murillo","doi":"10.1016/j.jaap.2025.107309","DOIUrl":"10.1016/j.jaap.2025.107309","url":null,"abstract":"<div><div>Pyrolysis contributes to the transition of the tyre industry towards a circular economy model. Tyre rubber is a complex blend of polymers, inorganic additives and grades of carbon black, depending on the tyre type and section. The products of the end-of-life tyres (ELTs) pyrolysis are heavily influenced by the original composition, so separation prior to pyrolysis could be an important step in optimising the recycling process. However, recyclers often ignore the composition of ELTs. This study aims to develop a simple methodology for evaluating the potential resource recovery of ETLs samples from a set of thermogravimetric experiments applying a Distributed Activation Energy Model (DAEM). Pyrolysis experiments were also carried out in a fixed-bed reactor to analyse the composition of the products. Direct linear relations were identified between specific values of the initial mass fraction parameter of the DAEM and the natural and synthetic rubber content, and notably with the limonene content in the pyrolysis oils. A high 12 wt% limonene in the oil product was obtained from the sample with the 83 wt% natural rubber content at 450 ºC. In addition, significant differences in the ash content were observed in the raw recovered carbon black from the tread sections (31 wt%-55 wt%) to the non-tread sections of the ELTs (7 wt%-16 wt%), which had a positive effect on its quality. This work demonstrates that the application of a straightforward methodology on separated types and sections of ELTs can greatly enhance the economic and environmental sustainability of their recycling processes.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"192 ","pages":"Article 107309"},"PeriodicalIF":6.2,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144739411","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
End-of-life wind turbine blades as a resource: A comparative study of pyrolysis and combustion 报废风力涡轮机叶片作为一种资源:热解和燃烧的比较研究
IF 6.2 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-28 DOI: 10.1016/j.jaap.2025.107308
Sibel Başakçılardan Kabakcı , Ayşe Şenlik
{"title":"End-of-life wind turbine blades as a resource: A comparative study of pyrolysis and combustion","authors":"Sibel Başakçılardan Kabakcı ,&nbsp;Ayşe Şenlik","doi":"10.1016/j.jaap.2025.107308","DOIUrl":"10.1016/j.jaap.2025.107308","url":null,"abstract":"<div><div>The transition to a low-carbon economy has accelerated wind energy installations. However, managing waste wind turbine blades (WTBs) remains a challenge due to their composite nature and limited regulations. This study explores the thermochemical recovery of WTBs via pyrolysis and combustion, focusing on gaseous emissions, pyrolysis oil, pyrochar morphology and ash. WTBs exhibit low carbon content (29.5 wt%), a heating value of 12 MJ/kg, and high ash content (58 wt%), meeting the minimum fuel threshold for cement production but not EN 15359 standards. Pyrolysis tests revealed decomposition behavior (T<sub>onset</sub>: 348 °C, T<sub>peak</sub>: 390 °C, T<sub>offset</sub>:421 °C) with a 39.3 % conversion rate. TG-FTIR analysis identified alcohols, esters, phenolics, and carbonyl groups, with key volatiles released at 366–417 °C. Pyrolysis oil (C6-C40, dominated by C15) was rich in Bisphenol A derivatives, suitable for resin production. Pyrochar, primarily glass fiber, exhibited low carbon content, making it suitable as a concrete or polymer additive. Combustion tests showed a mean ignition temperature of 276 °C, burnout at 686.5 °C, and moderate combustibility index. CO<sub>2</sub> emissions peaked between 421 and 572 °C. Ash morphology revealed glass fibers surrounded by loosely adherent ash. These findings support WTB valorization, promoting energy and material recovery while addressing environmental concerns.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"192 ","pages":"Article 107308"},"PeriodicalIF":6.2,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144722487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Reaction kinetics and accelerant effects of sulfides in early mature hydrocarbon generation using hydrous pyrolysis 硫化物在早熟烃类热解中的反应动力学及促进作用
IF 6.2 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-26 DOI: 10.1016/j.jaap.2025.107307
Tushar Adsul , Paul C. Hackley , Javin J. Hatcherian , Ryan J. McAleer , Carlin J. Green , Alan K. Burnham , Santanu Ghosh , Josef P. Werne , Atul Kumar Varma
{"title":"Reaction kinetics and accelerant effects of sulfides in early mature hydrocarbon generation using hydrous pyrolysis","authors":"Tushar Adsul ,&nbsp;Paul C. Hackley ,&nbsp;Javin J. Hatcherian ,&nbsp;Ryan J. McAleer ,&nbsp;Carlin J. Green ,&nbsp;Alan K. Burnham ,&nbsp;Santanu Ghosh ,&nbsp;Josef P. Werne ,&nbsp;Atul Kumar Varma","doi":"10.1016/j.jaap.2025.107307","DOIUrl":"10.1016/j.jaap.2025.107307","url":null,"abstract":"<div><div>Hydrocarbon generation in organic-rich sediments is influenced by the molecular organic composition and relative abundance of associated minerals. Certain mineral-derived elements act as catalysts and reaction intermediaries, facilitating early-stage hydrocarbon formation in potential source rocks. This study investigated the role of sulfur contributed from pyrite as an accelerant in thermal reaction, focusing on its effects on early maturation and consequent hydrocarbon generation from gilsonite (low-sulfur solid petroleum). Hydrous pyrolysis (HP) experiments were conducted on mixtures of gilsonite and pyrite in varying ratios (1:0.1, 1:0.5, 1:1, 1:2, and 1:10 w/w gilsonite:pyrite) at 320, 350, and 370 °C for 72 h. Untreated and thermally altered residues were analyzed using solid bitumen reflectance (BR<sub>o</sub>, %), total organic carbon (TOC) content, programmed temperature pyrolysis, scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS), and X-ray diffraction (XRD) to evaluate the potential accelerant role of pyritic sulfur in hydrocarbon formation. The results show HP residues at 320 and 350 °C with greater pyrite concentrations had higher BR<sub>o</sub>, while reflectance values were similar in the 370 °C residues, regardless of pyrite concentration, suggesting enhanced reaction at lower thermal conditions. Increasing pyrite content systematically decreased hydrogen index (HI) values while increasing the transformation ratio (TR) and production index (PI), indicating enhanced conversion of organic matter to hydrocarbons with increasing pyrite concentrations. Gas yields increased with pyrite addition, particularly at 350 °C, confirming secondary cracking effects. However, gas production stabilized or declined at higher pyrite loadings (1:10), suggesting alternative reaction pathways such as coke formation. Our data indicate the presence of pyrite lowers the activation energy for thermal cracking, shifting peak experimental hydrocarbon generation temperatures downward by 20–30 °C, with the most pronounced accelerant effects observed at moderate pyrite concentrations (1:0.5 and 1:1). The thermodynamic framework reveals that pyrite stability is influenced by experimental conditions, with pyrrhotite formation favored in the presence of gilsonite due to reduced oxygen fugacity. Pyrite transformation to pyrrhotite, as observed through XRD, SEM-EDS, and predicted by thermodynamic data, further supports the accelerant role of S, as pyrrhotite exhibits a higher hydrogen transfer potential, promoting early oil generation. These findings highlight the importance of pyrite in modulating hydrocarbon generation pathways in organic-rich systems.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"192 ","pages":"Article 107307"},"PeriodicalIF":6.2,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
One-step synthesis of armoured catalyst with ordered carbon layer coated FeCoNiCuZn high-entropy alloy for producing renewable hydrogen from biomass 有序碳层包覆FeCoNiCuZn高熵合金铠装催化剂一步合成生物质再生制氢
IF 6.2 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-26 DOI: 10.1016/j.jaap.2025.107306
Jian Lin , Xin Lin , Dechao Wang , Kaiyue Wu , Quan Yao , Haihan Huang , Jinping Xu , Duo Wang , Yueyuan Ye , Jianchun Jiang , Zhifeng Zheng
{"title":"One-step synthesis of armoured catalyst with ordered carbon layer coated FeCoNiCuZn high-entropy alloy for producing renewable hydrogen from biomass","authors":"Jian Lin ,&nbsp;Xin Lin ,&nbsp;Dechao Wang ,&nbsp;Kaiyue Wu ,&nbsp;Quan Yao ,&nbsp;Haihan Huang ,&nbsp;Jinping Xu ,&nbsp;Duo Wang ,&nbsp;Yueyuan Ye ,&nbsp;Jianchun Jiang ,&nbsp;Zhifeng Zheng","doi":"10.1016/j.jaap.2025.107306","DOIUrl":"10.1016/j.jaap.2025.107306","url":null,"abstract":"<div><div>One-step synthesis of an armoured catalyst featuring an ordered carbon layer-coated FeCoNiCuZn high-entropy alloy was reported for the catalytic reforming of biomass pyrolysis volatiles to produce renewable hydrogen. The prepared catalysts were characterized in detail by multiple techniques to reveal the features of the ordered carbon layer and the distribution of the high-entropy alloy. Response surface-centred combinatorial design (RSM-CCD) was employed to optimize the process conditions for hydrogen production from the catalytic pyrolysis of poplar wood sawdust. The results indicated that the FeCoNiCuZn-800 catalyst exhibited the best performance, and its unique structure contributed to an enhanced hydrogen yield. The enhanced catalytic performance stems primarily from the multi-element synergy within the HEA. Furthermore, the mesoporous structure facilitates mass transport, while the ordered carbon layers suppress nanoparticle agglomeration and promote electron transfer. The optimized process conditions were a pyrolysis temperature of 515 °C, a catalytic temperature of 622 °C, and a catalyst quality of 0.623 g. Under these conditions, the maximum hydrogen yield reached 40.10 vol% and 12.80 mmol·g⁻¹<sub>biomass-daf</sub>, demonstrating the great potential of this catalyst in the field of renewable hydrogen production.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"192 ","pages":"Article 107306"},"PeriodicalIF":6.2,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144722486","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A dual-stage machine learning framework for comprehensive characterization of waste plastic pyrolysis oils 用于废塑料热解油综合表征的双阶段机器学习框架
IF 5.8 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-25 DOI: 10.1016/j.jaap.2025.107300
Xu Zhang , Shengji Wu , Ben Ge , Qing Zhou , Bin Yan , Zezhou Chen
{"title":"A dual-stage machine learning framework for comprehensive characterization of waste plastic pyrolysis oils","authors":"Xu Zhang ,&nbsp;Shengji Wu ,&nbsp;Ben Ge ,&nbsp;Qing Zhou ,&nbsp;Bin Yan ,&nbsp;Zezhou Chen","doi":"10.1016/j.jaap.2025.107300","DOIUrl":"10.1016/j.jaap.2025.107300","url":null,"abstract":"<div><div>Pyrolysis is a promising approach to recycling plastic waste by converting it into valuable fuels and chemicals. However, process optimization is hindered by complex interdependencies among critical factors (e.g., plastic composition, pyrolysis temperature, and catalyst acidity) and empirical limitations (e.g., small datasets, nonlinear dependencies, and insufficient mechanistic understanding of composition-specific pathways) in predicting product distributions. To address these challenges, this study proposes a dual-stage machine learning framework for the comprehensive characterization of waste plastic pyrolysis oils, including their yield prediction and detailed compositional analysis. In the first stage, four single models (DT, RF, SVR, and XGB) were employed to predict oil yields, with XGB achieving superior accuracy (<em>R</em>² = 0.959) and SHAP analysis identifying pyrolysis temperature and catalyst acidity as dominant influencing factors. The second stage introduced a stacking-based fusion model to predict detailed oil compositions (alkanes, alkenes, and aromatics), outperforming single models by effectively capturing high-dimensional nonlinearities and feature interactions. The catalyst properties are the most influential for composition, with partial dependence plots delineating optimal conditions (e.g., 530°C for alkanes and 620°C for aromatics) and suggesting acid-catalyzed conversion of alkenes to aromatics. By bridging empirical correlations with mechanistic insights, this framework enables targeted pyrolysis optimization for high-value oil production. The study advances plastic waste valorization through integrated yield and compositional analysis, providing a transformative tool for sustainable resource recovery and circular economy applications.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"192 ","pages":"Article 107300"},"PeriodicalIF":5.8,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144711262","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hydrogenation of lignite-derived ethanol solubles into potential jet fuels over a novel in-situ reduced NiMo/Al-LDH catalyst 褐煤衍生乙醇在新型原位还原NiMo/Al-LDH催化剂上加氢成为潜在的喷气燃料
IF 5.8 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-23 DOI: 10.1016/j.jaap.2025.107299
Tao Shui , Xuanlan Li , Zhanku Li , Jingchong Yan , Weidong Zhang , Zhicai Wang , Zhiping Lei , Shibiao Ren , Hengfu Shui
{"title":"Hydrogenation of lignite-derived ethanol solubles into potential jet fuels over a novel in-situ reduced NiMo/Al-LDH catalyst","authors":"Tao Shui ,&nbsp;Xuanlan Li ,&nbsp;Zhanku Li ,&nbsp;Jingchong Yan ,&nbsp;Weidong Zhang ,&nbsp;Zhicai Wang ,&nbsp;Zhiping Lei ,&nbsp;Shibiao Ren ,&nbsp;Hengfu Shui","doi":"10.1016/j.jaap.2025.107299","DOIUrl":"10.1016/j.jaap.2025.107299","url":null,"abstract":"<div><div>The thermal dissolution products of coal, rich in aromatic compounds, can potentially be converted into jet fuels through catalytic hydrogenation, offering an alternative to meet the rising demand for high-quality jet fuels. However, low conversion rates and insufficient cyclane content in the products limited the interest in this approach. Herein, four catalysts—NiMoS/γ-Al<sub>2</sub>O<sub>3</sub>, NiMoS/CSs, NiMoS/Al<sub>2</sub>O<sub>3</sub>, and NiMo/Al-LDH (layered double hydroxide) were prepared and tested for hydrogenating an ethanol-soluble portion (ESP) from lignite, with the cyclane content as the key indicator for jet fuel potential. The results show that the pore sizes of NiMo/Al-LDH and NiMoS/Al<sub>2</sub>O<sub>3</sub> was larger than those of NiMoS/γ-Al<sub>2</sub>O<sub>3</sub> and NiMoS/CSs. NiMo/Al-LDH achieved the highest cyclane content (21.7 %) under optimal conditions, making it the most effective for producing jet fuel-like products. The nickel in NiMo/Al-LDH was mainly in metallic form and NiMoO<sub>4</sub> and obvious electron transfer from Ni to Mo exists in the catalyst, while in NiMoS/γ-Al<sub>2</sub>O<sub>3</sub> and NiMoS/Al<sub>2</sub>O<sub>3</sub>, it existed as sulfides. The use of in-situ reduction with NaBH<sub>4</sub>, without calcination, allowed NiMo/Al-LDH to retain its layered structure and larger surface area, leading to superior dispersion of nickel and molybdenum. The unique layered structure and strong interaction between Ni and Mo should be responsible for the superior hydrogenation activity of aromatics in ESP.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"192 ","pages":"Article 107299"},"PeriodicalIF":5.8,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144711399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A review on current technologies for plastic waste treatment with focus on pyrolysis for energy recovery 综述了目前塑料废弃物处理技术的发展现状,重点介绍了热解能源回收技术
IF 5.8 2区 化学
Journal of Analytical and Applied Pyrolysis Pub Date : 2025-07-23 DOI: 10.1016/j.jaap.2025.107301
Bhawna Yadav Lamba
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