Article(id=1236679389908366332, tenantId=1146029695717560320, journalId=1210938733613449225, issueId=1236679384321544791, articleNumber=null, orderNo=null, doi=10.19666/j.rlfd.202404077, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1713456000000, receivedDateStr=2024-04-19, revisedDate=null, revisedDateStr=null, acceptedDate=null, acceptedDateStr=null, onlineDate=1772776942945, onlineDateStr=2026-03-06, pubDate=1735056000000, pubDateStr=2024-12-25, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1772776942945, onlineIssueDateStr=2026-03-06, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1772776942945, creator=13701087609, updateTime=1772776942945, updator=13701087609, issue=Issue{id=1236679384321544791, tenantId=1146029695717560320, journalId=1210938733613449225, year='2024', volume='53', issue='12', pageStart='1', pageEnd='160', issueExtLink='null', onlineDate='null', pubDate='null', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1772776941614, creator=13701087609, updateTime=1772777031740, updator=13701087609, preIssue=null, nextIssue=null, ext={EN=IssueExt(id=1236679762404504298, tenantId=1146029695717560320, journalId=1210938733613449225, issueId=1236679384321544791, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1236679762404504299, tenantId=1146029695717560320, journalId=1210938733613449225, issueId=1236679384321544791, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null}, startPage=151, endPage=160, ext={EN=ArticleExt(id=1236679390231326724, articleId=1236679389908366332, tenantId=1146029695717560320, journalId=1210938733613449225, language=EN, title=Probing the pyrolysis mechanism of alkylbenzene insulating oil in oil-filled cables based on ReaxFF-MD and TG-IR, columnId=1211002409397129992, journalTitle=Thermal Power Generation, columnName=Power generation technology forum, runingTitle=null, highlight=null, articleAbstract=
The safe and stable operation of submarine oil-filled cables is critical, but the internal dodecylbenzene (DDB) insulating oil is subject to rapid pyrolysis and gas production at localized high temperatures due to thermal faults. Against this issue, the pyrolysis and gas production processes of dodecylbenzene insulating oil are investigated based on reactive molecular dynamics simulations (ReaxFF-MD) and thermogravimetric-infrared spectroscopy (TG-IR) experiments. The pyrolysis simulation results show that, the initial cracking reaction of the dodecylbenzene molecule is mainly the breaking of C—C bond to produce long-chain macromolecules, and then the gradual pyrolysis produces small alkyl radicals and olefinic molecules, and the DDB will eventually be pyrolyzed to the short-chain alkylbenzene molecules with the side chains of ·C2H5, ·CH3 and ·C3H7 groups. The main characteristic gases during pyrolysis are C2H4, H2, and CH4, which are the same as the results of IR experiments, and the main reaction mechanisms for the generation of the characteristic gases are: (i) the breaking of the C—C bond at the β-position, the hydrogenation reaction, and the dehydrogenation reaction; (ii) the attack of -H radicals to the H atoms on other radicals; and (iii) the reaction of the methyl radicals (·CH3) with the free hydrogen (·H) radicals, respectively. The kinetic results show that the activation energies of the TG experiment and ReaxFF-MD are 86.606 kJ/mol as well as 99.867 kJ/mol, respectively, and the similar activation energies further validate the reasonableness of the simulation results. The study conclusion provides theoretical support for deep understanding of the cracking and gas production mechanism of dodecylbenzene insulating oil.
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海底充油电缆的安全稳定运行至关重要,但内部的十二烷基苯(DDB)绝缘油在热故障导致的局部高温下会快速热解和产气。基于反应分子动力学模拟(ReaxFF-MD)和热重-红外光谱(TG-IR)实验,对十二烷基苯绝缘油的热解和产气过程进行探究。热解模拟结果表明:十二烷基苯分子初始裂解反应主要为C—C键的断裂产生长链大分子,后逐渐热解产生小烷基自由基和烯烃分子,DDB最终会热解为侧链为·C2H5、·CH3和·C3H7基团的短链烷基苯分子。热解过程中主要特征气体为C2H4、H2、CH4,与IR实验结果相同,特征气体生成的主要反应机理分别为:β位C—C键的断裂、加氢反应和脱氢反应;·H自由基攻击其他自由基上的H原子;甲基自由基(·CH3)与游离的氢(·H)自由基反应。动力学结果表明TG实验与ReaxFF-MD的活化能分别为86.606 kJ/mol以及99.867 kJ/mol,相近的活化能进一步验证了仿真结果的合理性。研究结论为深入了解十二烷基苯绝缘油的裂解和产气机理提供了理论支持。
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温度298 K下十二烷基苯绝缘油模型, figureFileSmall=fgetK75k/SCjLXnfnxClng==, figureFileBig=B1JxXhWcetvGfOz59ASFbA==, tableContent=null), ArticleFig(id=1236679401937629621, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.3, caption=
Changes of pyrolysis temperature and molecular number of dodecylbenzene model at heating rate of 20 K/ps, figureFileSmall=AEkhs9s0sUwOrZD2ItkKWQ==, figureFileBig=z9YYzfY7YXmwjqd9MPu+DQ==, tableContent=null), ArticleFig(id=1236679402088624569, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图3, caption=
升温速率20 K/ps时十二烷基苯模型热解温度及其分子数目的变化, figureFileSmall=AEkhs9s0sUwOrZD2ItkKWQ==, figureFileBig=z9YYzfY7YXmwjqd9MPu+DQ==, tableContent=null), ArticleFig(id=1236679402168316348, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.4, caption=
Changes of the number of macromolecules and important free radicals in the system during heating process, figureFileSmall=3xFtUyA7n4riSl2irjkEzA==, figureFileBig=J1ok9Uobfe++dsNBQ9ilRQ==, tableContent=null), ArticleFig(id=1236679402252202432, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图4, caption=
升温过程中体系大分子与重要自由基的数目变化, figureFileSmall=3xFtUyA7n4riSl2irjkEzA==, figureFileBig=J1ok9Uobfe++dsNBQ9ilRQ==, tableContent=null), ArticleFig(id=1236679402336088517, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.5, caption=
Change of dodecylbenzene with time at different temperatures, figureFileSmall=pUFAn51B7ZUiaVALzwVrTw==, figureFileBig=M9SgknR3/eWx1hkNoBrlGQ==, tableContent=null), ArticleFig(id=1236679402432557513, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图5, caption=
不同温度下十二烷基苯随着时间的变化, figureFileSmall=pUFAn51B7ZUiaVALzwVrTw==, figureFileBig=M9SgknR3/eWx1hkNoBrlGQ==, tableContent=null), ArticleFig(id=1236679402529026508, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.6, caption=
Changes in the number of short-chain molecules C1—C4 at different temperatures, figureFileSmall=ZGKYNryvGlPbVAFuIzkCwQ==, figureFileBig=Foy+Lq+/zmVQNUiavaXaKA==, tableContent=null), ArticleFig(id=1236679402621301202, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图6, caption=
不同温度下短链分子C1—C4数目变化, figureFileSmall=ZGKYNryvGlPbVAFuIzkCwQ==, figureFileBig=Foy+Lq+/zmVQNUiavaXaKA==, tableContent=null), ArticleFig(id=1236679402713575896, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.7, caption=
Change of C2H4 molecule numbers at different temperatures, figureFileSmall=8ks0kzVsth4I0YjXlItufg==, figureFileBig=uLaQzphW0zzOOH0gTy0AKw==, tableContent=null), ArticleFig(id=1236679402822627805, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图7, caption=
不同温度下C2H4分子的数目变化, figureFileSmall=8ks0kzVsth4I0YjXlItufg==, figureFileBig=uLaQzphW0zzOOH0gTy0AKw==, tableContent=null), ArticleFig(id=1236679402944262629, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.8, caption=
Change of H2 molecule numbers at different temperatures, figureFileSmall=hKkx8FOznCHT77wfjMrEyQ==, figureFileBig=Gq6zbxQFGaQKUa98YMqFzw==, tableContent=null), ArticleFig(id=1236679403044925929, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图8, caption=
不同温度下H2分子的数目变化, figureFileSmall=hKkx8FOznCHT77wfjMrEyQ==, figureFileBig=Gq6zbxQFGaQKUa98YMqFzw==, tableContent=null), ArticleFig(id=1236679403153977841, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.9, caption=
Change of C1 molecule numbers at different temperatures, figureFileSmall=6AoqypbiDsWX8aFikbfhhA==, figureFileBig=3j53APcAzwEaglmQvnmZeg==, tableContent=null), ArticleFig(id=1236679403254641142, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图9, caption=
不同温度下C1分子的数目变化, figureFileSmall=6AoqypbiDsWX8aFikbfhhA==, figureFileBig=3j53APcAzwEaglmQvnmZeg==, tableContent=null), ArticleFig(id=1236679403346915834, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.10, caption=
BDE of C—C bonds at different positions on the side chain of dodecylbenzene, figureFileSmall=0fRQgVBaCOtaexypL5eg+Q==, figureFileBig=+fljeIVVUD6j9nXlMkri7w==, tableContent=null), ArticleFig(id=1236679403464356350, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图10, caption=
十二烷基苯侧链上不同位置C—C键的BDE, figureFileSmall=0fRQgVBaCOtaexypL5eg+Q==, figureFileBig=+fljeIVVUD6j9nXlMkri7w==, tableContent=null), ArticleFig(id=1236679403573408259, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.11, caption=
Statistics of generation and consumption paths of characteristic gaseous molecules, figureFileSmall=qHNr/laDJ2G6bg/9ioluDg==, figureFileBig=Zy/6xCPBB4IrKL8RfoODeg==, tableContent=null), ArticleFig(id=1236679403640517125, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图11, caption=
特征气态分子的生成和消耗路径统计, figureFileSmall=qHNr/laDJ2G6bg/9ioluDg==, figureFileBig=Zy/6xCPBB4IrKL8RfoODeg==, tableContent=null), ArticleFig(id=1236679403741180426, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.12, caption=
Fitting diagram of experimental TG and ReaxFF MD reaction model, figureFileSmall=XXRbjB8OWkRwv/7RGaSrhQ==, figureFileBig=OmDYljsJY2UbIDqOD+afdQ==, tableContent=null), ArticleFig(id=1236679403808289295, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图12, caption=
实验TG与ReaxFF MD反应模型拟合图, figureFileSmall=XXRbjB8OWkRwv/7RGaSrhQ==, figureFileBig=OmDYljsJY2UbIDqOD+afdQ==, tableContent=null), ArticleFig(id=1236679403887981075, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.13, caption=
TG-IR data of alkylbenzene insulating oil at heating rate of 20 K/min, figureFileSmall=EjGRIfoFI0IohrRwNzWNvw==, figureFileBig=WB1tMxs2yLV0JRzX/cJkzw==, tableContent=null), ArticleFig(id=1236679403992838677, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图13, caption=
烷基苯绝缘油20 K/min升温速率下TG-IR联用数据, figureFileSmall=EjGRIfoFI0IohrRwNzWNvw==, figureFileBig=WB1tMxs2yLV0JRzX/cJkzw==, tableContent=null), ArticleFig(id=1236679404106084891, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=EN, label=Fig.14, caption=
Pyrolysis mechanism diagram of dodecylbenzene, figureFileSmall=pLWeJymnseDLjDGKFys/Kw==, figureFileBig=yIOWZXGajAgjJMtVMzkYrw==, tableContent=null), ArticleFig(id=1236679404215136799, tenantId=1146029695717560320, journalId=1210938733613449225, articleId=1236679389908366332, language=CN, label=图14, caption=
十二烷基苯热解机理, figureFileSmall=pLWeJymnseDLjDGKFys/Kw==, figureFileBig=yIOWZXGajAgjJMtVMzkYrw==, tableContent=null)], attaches=null, journal=Journal(id=1210938006006558725, delFlag=0, nameCn=热力发电, nameEn=Thermal Power Generation, nameHistory1=null, nameHistory2=null, issn=1002-3364, eissn=null, cn=61-1111/TM, coden=null, periodic=0, language=CN, oaType=null, ccby=null, superviseOffice=null, ownerOffice=null, pubOffice=null, editorOffice=null, officeType=null, aims=null, clcCode=null, officeProv=null, officeCity=null, officeAddr=null, officeZip=null, officeEmail=null, officePhone=null, editDirector=null, officeDirector=null, officeDirectorPhone=null, officeStaffNum=null, officeEmpNum=null, coverPicUrl=YWgAUXbKXZzTw3c+kJbAIA==, journalPrice=null, startedYear=null, abbrevIsoEn=Thermal Power Generation, journalRemark=null, publicationField=null, createdTime=1766639718774, updatedTime=1766640759031, createdBy=18614031015, updatedBy=13701087609, firstLetterCn=T, firstLetterEn=T, 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