Hao Jiang , Jing’ai Shao , Qiang Hu , Youjian Zhu , Wei Cheng , Junjie Zhang , Tingting Fan , Jie Yu , Haiping Yang , Xiong Zhang , Hanping Chen
{"title":"橡胶热解产生炭黑的特性和机理","authors":"Hao Jiang , Jing’ai Shao , Qiang Hu , Youjian Zhu , Wei Cheng , Junjie Zhang , Tingting Fan , Jie Yu , Haiping Yang , Xiong Zhang , Hanping Chen","doi":"10.1016/j.fuproc.2023.108011","DOIUrl":null,"url":null,"abstract":"<div><p>Pyrolysis is a promising way to treat the waste tires for high value carbon black production. However, the carbon black formation mechanism is still unclear due to the complex decomposition and polymerization reactions during the pyrolysis of tire components. In this study, the production behavior, characters, and mechanism of carbon black from pyrolysis of natural rubber (NR), butadiene rubber (BR), and styrene-butadiene rubber (SBR) were investigated. The yield of carbon black was increased from 20.8%–24.4% to 47.9%–56.7% with the increase of pyrolysis temperature from 1100 to 1300°C. Although the carbon black production yield from NR was lower than that of BR and SBR at 1300°C, the graphitization degree (<em>I</em><sub>D</sub>/<em>I</em><sub>G</sub> = 2.22), microcrystal length (3.17 nm) and mean particle diameter (90.3 nm) of the carbon black derived from NR were the highest. The volatile evolution, carbon black nucleation mechanisms were revealed by reactive force-field molecular dynamics simulations. The pyrolysis of BR and SBR generated more C<sub>2</sub>H<sub>2</sub>, C<sub>2</sub>H<sub>3</sub>⋅, long carbon-chains and cyclic molecules than NR, which probably resulted in a higher carbon black yield than NR. With few defect borders, regular stacking and wrapping of the aromatic layers, the carbon black from NR exhibited more ordered nucleation and high graphitization degree.</p></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"253 ","pages":"Article 108011"},"PeriodicalIF":7.2000,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0378382023003594/pdfft?md5=801d242f62e6914a33b9c44ef0b8928a&pid=1-s2.0-S0378382023003594-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Carbon black production characteristics and mechanisms from pyrolysis of rubbers\",\"authors\":\"Hao Jiang , Jing’ai Shao , Qiang Hu , Youjian Zhu , Wei Cheng , Junjie Zhang , Tingting Fan , Jie Yu , Haiping Yang , Xiong Zhang , Hanping Chen\",\"doi\":\"10.1016/j.fuproc.2023.108011\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Pyrolysis is a promising way to treat the waste tires for high value carbon black production. However, the carbon black formation mechanism is still unclear due to the complex decomposition and polymerization reactions during the pyrolysis of tire components. In this study, the production behavior, characters, and mechanism of carbon black from pyrolysis of natural rubber (NR), butadiene rubber (BR), and styrene-butadiene rubber (SBR) were investigated. The yield of carbon black was increased from 20.8%–24.4% to 47.9%–56.7% with the increase of pyrolysis temperature from 1100 to 1300°C. Although the carbon black production yield from NR was lower than that of BR and SBR at 1300°C, the graphitization degree (<em>I</em><sub>D</sub>/<em>I</em><sub>G</sub> = 2.22), microcrystal length (3.17 nm) and mean particle diameter (90.3 nm) of the carbon black derived from NR were the highest. The volatile evolution, carbon black nucleation mechanisms were revealed by reactive force-field molecular dynamics simulations. The pyrolysis of BR and SBR generated more C<sub>2</sub>H<sub>2</sub>, C<sub>2</sub>H<sub>3</sub>⋅, long carbon-chains and cyclic molecules than NR, which probably resulted in a higher carbon black yield than NR. With few defect borders, regular stacking and wrapping of the aromatic layers, the carbon black from NR exhibited more ordered nucleation and high graphitization degree.</p></div>\",\"PeriodicalId\":326,\"journal\":{\"name\":\"Fuel Processing Technology\",\"volume\":\"253 \",\"pages\":\"Article 108011\"},\"PeriodicalIF\":7.2000,\"publicationDate\":\"2023-12-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S0378382023003594/pdfft?md5=801d242f62e6914a33b9c44ef0b8928a&pid=1-s2.0-S0378382023003594-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Fuel Processing Technology\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0378382023003594\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fuel Processing Technology","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0378382023003594","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
引用次数: 0
摘要
热解是一种处理废旧轮胎以生产高价值炭黑的可行方法。然而,由于轮胎成分在热解过程中发生复杂的分解和聚合反应,炭黑的形成机理尚不清楚。本研究调查了天然橡胶(NR)、丁二烯橡胶(BR)和丁苯橡胶(SBR)热解产生炭黑的行为、特征和机理。随着热解温度从 1100°C 提高到 1300°C,炭黑的产率从 20.8%-24.4% 提高到 47.9%-56.7%。虽然在 1300°C 下,NR 的炭黑产率低于 BR 和 SBR,但 NR 炭黑的石墨化程度(ID/IG = 2.22)、微晶长度(3.17 nm)和平均粒径(90.3 nm)却是最高的。反应力场分子动力学模拟揭示了挥发演变和炭黑成核机制。与 NR 相比,BR 和 SBR 在热解过程中产生了更多的 C2H2、C2H3⋅、长碳链和环状分子,这可能导致其炭黑产率高于 NR。由 NR 制成的炭黑缺陷边界少,芳香层的堆叠和包裹规则,成核更有序,石墨化程度高。
Carbon black production characteristics and mechanisms from pyrolysis of rubbers
Pyrolysis is a promising way to treat the waste tires for high value carbon black production. However, the carbon black formation mechanism is still unclear due to the complex decomposition and polymerization reactions during the pyrolysis of tire components. In this study, the production behavior, characters, and mechanism of carbon black from pyrolysis of natural rubber (NR), butadiene rubber (BR), and styrene-butadiene rubber (SBR) were investigated. The yield of carbon black was increased from 20.8%–24.4% to 47.9%–56.7% with the increase of pyrolysis temperature from 1100 to 1300°C. Although the carbon black production yield from NR was lower than that of BR and SBR at 1300°C, the graphitization degree (ID/IG = 2.22), microcrystal length (3.17 nm) and mean particle diameter (90.3 nm) of the carbon black derived from NR were the highest. The volatile evolution, carbon black nucleation mechanisms were revealed by reactive force-field molecular dynamics simulations. The pyrolysis of BR and SBR generated more C2H2, C2H3⋅, long carbon-chains and cyclic molecules than NR, which probably resulted in a higher carbon black yield than NR. With few defect borders, regular stacking and wrapping of the aromatic layers, the carbon black from NR exhibited more ordered nucleation and high graphitization degree.
期刊介绍:
Fuel Processing Technology (FPT) deals with the scientific and technological aspects of converting fossil and renewable resources to clean fuels, value-added chemicals, fuel-related advanced carbon materials and by-products. In addition to the traditional non-nuclear fossil fuels, biomass and wastes, papers on the integration of renewables such as solar and wind energy and energy storage into the fuel processing processes, as well as papers on the production and conversion of non-carbon-containing fuels such as hydrogen and ammonia, are also welcome. While chemical conversion is emphasized, papers on advanced physical conversion processes are also considered for publication in FPT. Papers on the fundamental aspects of fuel structure and properties will also be considered.