Journal of Analytical and Applied Pyrolysis最新文献_第4页

Viscosity reduction of heavy oil based on rice husk char-based nanocatalysts of NiO/Fe2O3 基于稻壳炭的 NiO/Fe2O3 纳米催化剂降低重油粘度

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106788

Ruiqi Liu , Liqiang Zhang , Xinlu Han, Yiya Wang, Jinyu Li, Chenxing Huang, Xinwei Wang, Riyi Lin

{"title":"Viscosity reduction of heavy oil based on rice husk char-based nanocatalysts of NiO/Fe2O3","authors":"Ruiqi Liu , Liqiang Zhang , Xinlu Han, Yiya Wang, Jinyu Li, Chenxing Huang, Xinwei Wang, Riyi Lin","doi":"10.1016/j.jaap.2024.106788","DOIUrl":"10.1016/j.jaap.2024.106788","url":null,"abstract":"<div><div>In recent years, catalytic hydrothermal cracking has gained significant attention as an effective technology for reducing the viscosity of heavy oil in the field of heavy oil recovery. However, the current catalyst temperature window is relatively high, leading to high energy consumption in heavy oil extraction. The development of catalysts that can effectively reduce the viscosity of heavy oil at low temperatures is important to reduce energy consumption in the thermal recovery process of heavy oil. Biochar-based catalysts exhibit good low-temperature activity. Therefore, this study used modified rice husk char as a carrier to develop NiO-RHC, Fe<sub>2</sub>O<sub>3</sub>-RHC, and NiO/Fe<sub>2</sub>O<sub>3</sub>-RHC catalysts, and investigated their performance in low-temperature catalytic viscosity reduction. Various methods were used to characterize the physical and chemical properties of the catalysts, and the effects of catalyst type and addition amounts on the catalytic viscosity reduction reaction were examined. The results showed that the catalytic performance of the dual-active component catalyst was better than that of NiO-RHC and Fe<sub>2</sub>O<sub>3</sub>-RHC. Under the catalysis of NiO/Fe<sub>2</sub>O<sub>3</sub>-RHC, the viscosity of heavy oil decreased by 81.81 %. As the catalyst addition amounts increased, the viscosity reduction rate of heavy oil also increased. The optimal catalyst addition amount was 1.00 wt%, and the heavy component content in the oil sample was reduced by 4.14 % after the catalytic reaction. Finally, the mechanism of heavy oil viscosity reduction was analyzed. It was found that the breaking of C-S bonds was a significant factor in reducing heavy oil viscosity, and the S in H<sub>2</sub>S mainly came from thioether and sulfoxide sulfur. This study provides valuable references for further research on low-temperature viscosity reduction in heavy oil.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106788"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359508","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

Confirmation of the feasibility of using agrobyproduct biochar in thermal power plants through oxygen pyrolysis and conventional pyrolysis 通过氧气热解和传统热解确认火力发电厂使用农副产品生物炭的可行性

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106791

Sunyong Park , Seok Jun Kim , Kwang Cheol Oh , Padam Prasad Paudel , Seon Yeop Kim , Ha Eun Kim , Jae Youl Shin , Dae Hyun Kim

{"title":"Confirmation of the feasibility of using agrobyproduct biochar in thermal power plants through oxygen pyrolysis and conventional pyrolysis","authors":"Sunyong Park , Seok Jun Kim , Kwang Cheol Oh , Padam Prasad Paudel , Seon Yeop Kim , Ha Eun Kim , Jae Youl Shin , Dae Hyun Kim","doi":"10.1016/j.jaap.2024.106791","DOIUrl":"10.1016/j.jaap.2024.106791","url":null,"abstract":"<div><div>This study investigates the feasibility of utilizing agrobyproduct biochar as a substitute for fossil fuels in thermal power plants by comparing oxygen-rich and oxygen-lean pyrolysis processes. The biomass types examined include soybean pods (BE), bamboo (BB), and wood pellets (WP). Results demonstrate that oxygen-lean pyrolysis at high temperatures enhances biochar's carbon content and energy density. Mass yields varied, with WP showing the highest yield at 500℃ under oxygen-lean conditions. Elemental analysis indicated increased carbon content and improved fuel properties with higher pyrolysis temperatures. Proximate composition analysis revealed decreased volatile matter and increased fixed carbon and ash content, leading to higher fuel ratios. Calorific values increased significantly across all biomasses, particularly under oxygen-lean conditions. Gas analysis showed significant changes in O<sub>2</sub>, CO<sub>2</sub>, and CO concentrations with temperature variations. Combustion indices and physical properties like aromaticity and Hardgrove grindability index improved with higher temperatures. Optimal pyrolysis conditions were identified as 325℃ for WP, 350℃ for BB, and 300℃ for BE, with BE also performing well at 500℃. The study concludes that optimized agrobyproduct biochar can effectively replace conventional fossil fuels, offering high energy yield and enhanced combustion properties.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106791"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142425731","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

Base-acid tandem catalytic upgrading of coal pyrolysis volatiles: The effects of alkaline earth oxides and modified HZSM-5 zeolites 煤热解挥发物的碱-酸串联催化升级：碱土氧化物和改性 HZSM-5 沸石的影响

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106804

Li Zhang , Hang Yang , Qinglong Tan , Jiehan Zhang , Jinze Dai , Zhaohui Chen

{"title":"Base-acid tandem catalytic upgrading of coal pyrolysis volatiles: The effects of alkaline earth oxides and modified HZSM-5 zeolites","authors":"Li Zhang , Hang Yang , Qinglong Tan , Jiehan Zhang , Jinze Dai , Zhaohui Chen","doi":"10.1016/j.jaap.2024.106804","DOIUrl":"10.1016/j.jaap.2024.106804","url":null,"abstract":"<div><div>Catalytic upgrading of coal pyrolysis volatiles is a promising technology to bolster the production of value-added chemicals from coal. To optimize product distribution and mitigate catalyst deactivation, this work investigated tandem catalysts combining the upper alkaline earth oxides (CaO or MgO) with the lower modified HZSM-5 (mesopore creation and Ga loading). The pre-cracking of volatiles over CaO or MgO lowered the average molecule size of tar components. The diffusion properties and aromatization of these pre-cracking-derived intermediates were improved, facilitating the secondary upgrading over HZSM-5-based catalysts, promoting the formation of aromatics. The experimental results showed that tandem CaO-HZSM-5 catalysts presented better synergy to improve the tar components as compared to MgO-HZSM-5, considering the formation of aromatics in tar. In this context, the mesopore and metal Ga were introduced into HZSM-5 to further upgrade the tar quality. The mesoporous structure for HZSM-5-meso and Ga/HZSM-5-meso promoted the conversion of aliphatic hydrocarbons into aromatics. Simultaneous introduction of mesopores and Ga synergistically increased the aromatic content in tar to 41.6 % and reduced the carbon deposition to 0.88 wt%. In summary, this work elucidated the mechanism of tandem CaO-modified HZSM-5 catalysis for the upgrading of volatiles from coal pyrolysis.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106804"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142425734","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

Production of hydrochar fuel by microwave-hydrothermal carbonisation of olive pomace slurry from olive oil industry for combustion application 通过微波水热碳化橄榄油工业中的橄榄渣浆生产水碳燃料，并将其应用于燃烧

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106801

Adnan Asad Karim , María Lourdes Martínez-Cartas , Manuel Cuevas-Aranda

{"title":"Production of hydrochar fuel by microwave-hydrothermal carbonisation of olive pomace slurry from olive oil industry for combustion application","authors":"Adnan Asad Karim , María Lourdes Martínez-Cartas , Manuel Cuevas-Aranda","doi":"10.1016/j.jaap.2024.106801","DOIUrl":"10.1016/j.jaap.2024.106801","url":null,"abstract":"<div><div>This work is the first investigation on microwave-assisted hydrothermal carbonisation (MHTC) of real olive pomace (OP) slurry from the olive oil industry to produce hydrochars with improved fuel properties for combustion applications (e.g., in boilers). Experiments were conducted based on the central composite design of response surface methodology with two main process variables: temperature (180–250 °C) and holding time (2–30 min). Severity factors (log R<sub>0</sub>) were calculated from the above variables and used to explain the process effect in a simpler way. Increasing the MHTC severity resulted in significant changes in the structure of OP (studied by FTIR and NMR analyses) as well as reductions in yield, bulk density, volatile matter, and ash content in the hydrochars. The high-severity hydrochar was positioned in the lignite zone (van Krevelen diagram). It also exhibited substantial reductions in the alkali index (86.53 %), slagging index (76.89 %), and fouling index (96.07 %) compared to the raw material. Overall, the best conditions for hydrochar production with improved combustion characteristics were found to be 250 °C for 30 min (HHV = 28.45 MJ/kg, energy densification ratio = 1.25, equilibrium moisture content = 31.1 mg/g, comprehensive combustibility index = 2.94 × 10<sup>−7</sup>%<sup>2</sup> min<sup>−2</sup> ºC<sup>−3</sup>). These properties indicate that high-severity hydrochars could be utilised as biofuels for energy applications.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106801"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142536047","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular-chemical characterization of soil organic matter in wetlands by pyrolysis-gas chromatography/mass spectrometry 利用热解-气相色谱/质谱法确定湿地土壤有机物的分子-化学特征

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106842

Wenwen Zhao , Zhongsheng Zhang , Haobo Wu , Luan Sang

{"title":"Molecular-chemical characterization of soil organic matter in wetlands by pyrolysis-gas chromatography/mass spectrometry","authors":"Wenwen Zhao , Zhongsheng Zhang , Haobo Wu , Luan Sang","doi":"10.1016/j.jaap.2024.106842","DOIUrl":"10.1016/j.jaap.2024.106842","url":null,"abstract":"<div><div>The carbon cycle in ecosystems is fundamentally controlled by the composition and transformation of organic molecules. Alpine wetland soils have enormous carbon storage, but they are sensitive to climate change, and can easily shift from carbon sink to carbon source. However, we currently lack understanding in molecular-chemical composition of soil organic matter (SOM) in alpine wetlands. In this study, we tried to decipher molecular-chemical features of SOM in typical alpine wetlands using the pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS). Results indicated that nitrogen-containing compounds were the most abundant moieties among pyrolytic products of SOM. More than 83 % of pyrolytic moieties had a molecular weight of no more than 200 Daltons and a H/C ratio of no more than 2.0. O/C ratio of most pyrolytic products were less than 0.5. A van Krevelen diagram potentially indicated that SOM in wetlands might consist of massive heterogeneous molecules where aromatic compounds and their derivatives served as the core, with aliphatic hydrocarbon molecules of varying carbon chain lengths attached externally. About 72.25 % of variances in SOM were explained by 50 pyrolytic products, of which toluene was the most important. A significantly negative relation was observed between molecular weight (MW) and abundance of pyrolytic products, while positive relations were found between H/C, O/C, and abundance of pyrolytic products. Our work implied that SOM in wetlands was mainly composed of molecules with low MW and aromatic function groups.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106842"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657479","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

Converting corncob to caking materials via hydro-modification in a subcritical water and carbon monoxide (H2O–CO) system 在亚临界水和一氧化碳（H2O-CO）系统中通过水改性将玉米芯转化为结块材料

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106841

Qi Wang , Tiankai Zhang , Yuqiong Zhao , Wuxia Zhang , Zhifen Yang , Yongfa Zhang

{"title":"Converting corncob to caking materials via hydro-modification in a subcritical water and carbon monoxide (H2O–CO) system","authors":"Qi Wang , Tiankai Zhang , Yuqiong Zhao , Wuxia Zhang , Zhifen Yang , Yongfa Zhang","doi":"10.1016/j.jaap.2024.106841","DOIUrl":"10.1016/j.jaap.2024.106841","url":null,"abstract":"<div><div>China faces a long-term shortage of high-quality coking coal. Low-sulfur, low-ash biomass resources from agricultural and forestry waste are potential substitutes due to their low cost and environmental friendliness. This study applies a subcritical water-carbon monoxide (H<sub>2</sub>O-CO) treatment for this purpose, finding that transforming corncob leads to a significant increase in its caking index, aligning with the standards of premium coking coal. This paper analyzes the main structural changes and removal patterns during corncob modification using elemental analysis, <sup>1</sup>H NMR, <sup>13</sup>C NMR, and XPS. The results show that the modified corncob products mainly contain three elements: carbon (C), hydrogen (H), and oxygen (O). The C/H and H/O ratios are positively correlated with the caking index. The modified corncob products are rich in polycyclic aromatic hydrocarbon compounds with aliphatic side chain structures; these mainly drive the caking property transformation of the biomass. The active hydrogen produced by the water-gas shift reaction is an important hydrogen source for the modification reaction, it more easily combines with the C<img>O single bonds in corncob. This facilitates the material transformation into substances such as xylo-oligosaccharides and gluco-oligosaccharides in the modified liquid products. Synchronizing the active hydrogen provision with the cleavage rate of chemical bonds in the corncob’s structural units is key to enhancing the modification process and elevating the caking properties. This research broadens the list of effective ways to utilize biomass resources, enriches the basic theory of biomass hydrogenation conversion process, and provides a reference for the processing and utilization of other carbon-based materials.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106841"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657482","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

Recovery of carbon fiber from carbon fiber reinforced polymer waste via microwave molten-carbonate pyrolysis 通过微波熔融碳酸盐热解从碳纤维增强聚合物废料中回收碳纤维

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106840

Junjie Shu , Lei Xu , Yiyao Ren , Shijie Xiao , Qun Wei , Cheng Xie , Yongfen Sun , Junyu Lu , Lei Li , Zhigang Shen

{"title":"Recovery of carbon fiber from carbon fiber reinforced polymer waste via microwave molten-carbonate pyrolysis","authors":"Junjie Shu , Lei Xu , Yiyao Ren , Shijie Xiao , Qun Wei , Cheng Xie , Yongfen Sun , Junyu Lu , Lei Li , Zhigang Shen","doi":"10.1016/j.jaap.2024.106840","DOIUrl":"10.1016/j.jaap.2024.106840","url":null,"abstract":"<div><div>In recent years, the increased use of carbon fiber-reinforced polymer (CFRP) composites has led to a significant rise in waste production. To address this issue, a recycling method using microwave molten salt pyrolysis-oxidation has been proposed to efficiently process CFRP and obtain regenerated carbon fibers (RCFs) under the combined effect of microwave and Na<sub>2</sub>CO<sub>3</sub>/K<sub>2</sub>CO<sub>3</sub>/Li<sub>2</sub>CO<sub>3</sub> composite molten salt. The mechanism of microwave molten salt pyrolysis was examined in conjunction with the pyrolysis products (pyrolysis oil and gas), furthermore, the microwave molten salt pyrolysis process was optimized. The causes of the changes in the mechanical characteristics and wettability of carbon fibers (CFs) were additionally investigated and analyzed. The RCFs recovered from previous composite materials were processed into new composite materials and mechanically tested to assess their reusability. The study found that using microwave pyrolysis at 350°C for 10 min followed by oxidation at 450°C for 20 min resulted in recovered carbon fibers (RCFs) that retained 98.81 % of the tensile strength of the virgin carbon fibers (VCFs). Additionally, the RCFs showed a tensile modulus enhancement of 14.70 %, with the recovery ratio of carbon fibers as high as 98.44 %. Pyrolysis generates combustible gases like hydrogen (H<sub>2</sub>), carbon monoxide (CO), and alkanes, alongside products primarily composed of phenols and aromatic compounds. The recycling method can quickly recover high-performance carbon fibers and valuable pyrolysis by-products from CFRP waste, making them highly valuable for resource recycling and the sustainable development of carbon fiber materials.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106840"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657481","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

An overview of catalytic pyrolysis of plastic waste over base catalysts 基础催化剂催化热解塑料废弃物概述

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106828

Neng T.U. Culsum , Agus Kismanto , Prima Zuldian , Nina K. Supriatna , Samdi Yarsono , Lan M.T. Nainggolan , Alfonsus A. Raksodewanto , Oni Fariza , Fahruddin J. Ermada , Dea G.D. Saribu , Munawar Khalil , Grandprix T.M. Kadja

{"title":"An overview of catalytic pyrolysis of plastic waste over base catalysts","authors":"Neng T.U. Culsum , Agus Kismanto , Prima Zuldian , Nina K. Supriatna , Samdi Yarsono , Lan M.T. Nainggolan , Alfonsus A. Raksodewanto , Oni Fariza , Fahruddin J. Ermada , Dea G.D. Saribu , Munawar Khalil , Grandprix T.M. Kadja","doi":"10.1016/j.jaap.2024.106828","DOIUrl":"10.1016/j.jaap.2024.106828","url":null,"abstract":"<div><div>Excessive plastic consumption has enormous environmental consequences, including global climate change, the accumulation of non-biodegradable substances, and the depletion of fossil fuel resources. Accordingly, sustainable treatment of waste plastics must be prioritized to achieve a greener world while generating valuable energy products. Pyrolysis has been proven to be an environmentally friendly strategy for recycling plastic waste. In addition, the employment of catalysts in the pyrolysis process, particularly base catalysts, can improve the quality of the products. Base catalysts are highly selective for the formation of alkenes and aromatic hydrocarbons. In addition, the basicity of the catalyst can influence the pyrolysis products. Catalysts with lower basicity promote the formation of aldehydes and ketones, whereas catalysts with strong basicity can encourage hydrocarbon production. In addition, base catalysts can enhance the quality of pyrolytic oil by decarboxylating acidic compounds. Accordingly, this review focuses on the pyrolysis of plastic waste by employing base catalysts. The correlation between catalyst features and catalytic activity in the pyrolysis of plastic waste was also emphasized.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106828"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142536053","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

Research on modeling the lignin waste molecular structure and pyrolytic reactions using ReaxFF MD method 利用 ReaxFF MD 方法建立木质素废料分子结构和热解反应模型的研究

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106783

Xiankun Huang , Zhang Bai , Shuoshuo Wang , Xiaoli Zhu , Lin Mu , Liang Gong

{"title":"Research on modeling the lignin waste molecular structure and pyrolytic reactions using ReaxFF MD method","authors":"Xiankun Huang , Zhang Bai , Shuoshuo Wang , Xiaoli Zhu , Lin Mu , Liang Gong","doi":"10.1016/j.jaap.2024.106783","DOIUrl":"10.1016/j.jaap.2024.106783","url":null,"abstract":"<div><div>The lack of clarity in characterizing the chemical structure model of lignin waste hinders the comprehensive understanding of its pyrolysis reaction mechanism. The characterization results revealed that the de–alkalized lignin sample contained larger amounts of aliphatic and aromatic carbons compared to carbonyl carbons. Additionally, the aliphatic carbon molecules exhibited a higher presence of oxygenated carbons. The degree of aromaticity (<em>f</em><sub>a</sub>) was determined to be 63.93 %. The resulting single–molecule structural model exhibited a molecular formula of C<sub>33</sub>H<sub>26</sub>O<sub>11</sub> and a molecular weight of 598.56. Furthermore, the evolutions patterns and formation pathways of primary volatile components (H<sub>2</sub>, CH<sub>4</sub>, CO, and CO<sub>2</sub>) in pyrolysis reactions were revealed. The number of H<sub>2</sub> molecules exhibited a positive correlation with the rise in pyrolysis reaction temperature. CH<sub>4</sub> molecules exhibited a pattern of initially increasing and subsequently decreasing. The number of CO molecules exhibited a positive correlation with the rise in pyrolysis temperature. Conversely, the number of CO<sub>2</sub> molecules demonstrated an initial increase followed by a decrease as the pyrolysis temperature increased. Finally, the generation pathway analysis of pyrolysis products shows that the H<sub>2</sub> molecule is composed of two hydrogen atoms bonded together that have been dissociated from the carboxyl group. Alternatively, it can be produced through hydrogenation reactions involving hydrogen atoms detached from the carboxyl group and methyl groups. CH<sub>4</sub> is primarily generated through the reaction between –CH<sub>3</sub> and free hydrogen ions. CO is primarily produced through the cleavage of the carbonyl group. CO<sub>2</sub> is primarily produced through the cleavage of carboxyl and ester groups.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106783"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142359498","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

Analyzing the pyrolysis mechanism of advanced composites based on nitrotriazolone and energetic cellulose-rich polymers 分析基于硝基三唑酮和富含高能纤维素聚合物的先进复合材料的热解机理

IF 5.8 2区化学

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI: 10.1016/j.jaap.2024.106796

Hani Boukeciat , Ahmed Fouzi Tarchoun , Djalal Trache , Amir Abdelaziz , Lokmene Boumaza , Thomas M. Klapötke

{"title":"Analyzing the pyrolysis mechanism of advanced composites based on nitrotriazolone and energetic cellulose-rich polymers","authors":"Hani Boukeciat , Ahmed Fouzi Tarchoun , Djalal Trache , Amir Abdelaziz , Lokmene Boumaza , Thomas M. Klapötke","doi":"10.1016/j.jaap.2024.106796","DOIUrl":"10.1016/j.jaap.2024.106796","url":null,"abstract":"<div><div>This study investigated the structure, thermal decomposition, and mechanism of nitrotriazolone (NTO)-based composites. Three types of energetic composites namely, nitrocellulose (NC)/NTO, microcrystalline nitrocellulose (MCCN)/NTO, and carbamate microcrystalline cellulose nitrated (M3CN)/NTO were prepared. The obtained results revealed that NTO particles were homogeneously dispersed or embedded within the modified or unmodified nitrated polymeric chains. This dispersion effectively inhibited the crystal growth of NTO particles, resulting in submicron-sized particles. In addition, the thermolysis of NC, MCCN, and M3CN remained unchanged according to thermal analysis results, while the second temperature peak was significantly lower than that of raw NTO. Notably, the thermolysis of the nitrated polymers (NC, MCCN, and M3CN) occurs independently when combined with NTO. It was found that the release of gaseous species during the initial decomposition phase significantly influenced the thermal profile of NTO, thereby altering its decomposition mechanism. Thermogravimetric analysis coupled with fourier transform infrared spectroscopy (TGA-FTIR) findings highlighted the significant influence of nitrated polymer types on the gaseous products of NTO decomposition, affecting the intensity and the type of nitrogen oxides generated during pyrolysis. These results present a promising fabrication strategy for utilizing NTO-based energetic composites in high-energy propellants and explosives.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"183 ","pages":"Article 106796"},"PeriodicalIF":5.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142425732","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}

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