Low temperature oxidized coke of the ultra-heavy oil during in-situ combustion process: Structural characterization and evolution elucidation
•Oxidation behaviors for oxidized and pyrolytic cokes were contrastively estimated.•Coke unique peak at 1590 cm−1 was due to C = C bands in highly conjugated structures.•Air atmosphere had considerable effect on the evolution of C/N/S- functional groups.•Complex physical and chemical reactions in LT...
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| Veröffentlicht in: | Fuel (Guildford) 2022-04, Vol.313, p.122676, Article 122676 |
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| creator | Chen, Ya-fei Yin, Hong He, Dong-lin Gong, Hai-feng Liu, Zhe-zhi Liu, Yun-qi Zhang, Xian-ming Pu, Wan-fen |
| description | •Oxidation behaviors for oxidized and pyrolytic cokes were contrastively estimated.•Coke unique peak at 1590 cm−1 was due to C = C bands in highly conjugated structures.•Air atmosphere had considerable effect on the evolution of C/N/S- functional groups.•Complex physical and chemical reactions in LTO process promoted coke formation.
Fundamental knowledge on the evolution of low temperature oxidized coke was a prerequisite towards a deep understanding of coke deposition and subsequent combustion of ultra-heavy oils during in-situ combustion (ISC) process. This study investigated the structural characterization (oxidation behavior, elemental composition, functional groups, and morphology) and elucidated evolution mechanism of cokes generated from the low temperature oxidation/pyrolysis of the ultra-heavy oil during ISC process. The results shown that, compared with pyrolytic coke, the intermediate groups of C-O/C-OH (1260–1060 cm−1) were further oxidized into C = O (1850–1650 cm−1) groups and finally converted into C = C groups (“coke peak”, 1590 cm−1) in highly conjugated aromatic structures for oxidized cokes. Besides, the oxidized coking condition would result in a higher degree of substitution (γCHAr1, γCHAr4) of aromatic rings (900–700 cm−1) and promote the evolution of N- and S- functional groups. Although >78 % of C 1 s belonged to the graphitic carbon for four cokes, morphologies of oxidized cokes were relatively coarse with much looser distribution. In addition, the corresponding enthalpies were in the order cokeLTO3 (25.51 kJ·g−1) > cokeLTP (24.22 kJ·g−1) > cokeLTO2 (23.23 kJ·g−1) > cokeLTO1 (17.45 kJ·g−1), indicating a considerable contribution of low temperature oxidation reactions on derived coke morphology, oxidizability and exothermicity, which contained complicated and crucial dehydrogenation, crosslinking and polymerization reactions to accelerate coke evolution. |
| doi_str_mv | 10.1016/j.fuel.2021.122676 |
| format | Article |
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Fundamental knowledge on the evolution of low temperature oxidized coke was a prerequisite towards a deep understanding of coke deposition and subsequent combustion of ultra-heavy oils during in-situ combustion (ISC) process. This study investigated the structural characterization (oxidation behavior, elemental composition, functional groups, and morphology) and elucidated evolution mechanism of cokes generated from the low temperature oxidation/pyrolysis of the ultra-heavy oil during ISC process. The results shown that, compared with pyrolytic coke, the intermediate groups of C-O/C-OH (1260–1060 cm−1) were further oxidized into C = O (1850–1650 cm−1) groups and finally converted into C = C groups (“coke peak”, 1590 cm−1) in highly conjugated aromatic structures for oxidized cokes. Besides, the oxidized coking condition would result in a higher degree of substitution (γCHAr1, γCHAr4) of aromatic rings (900–700 cm−1) and promote the evolution of N- and S- functional groups. Although >78 % of C 1 s belonged to the graphitic carbon for four cokes, morphologies of oxidized cokes were relatively coarse with much looser distribution. In addition, the corresponding enthalpies were in the order cokeLTO3 (25.51 kJ·g−1) > cokeLTP (24.22 kJ·g−1) > cokeLTO2 (23.23 kJ·g−1) > cokeLTO1 (17.45 kJ·g−1), indicating a considerable contribution of low temperature oxidation reactions on derived coke morphology, oxidizability and exothermicity, which contained complicated and crucial dehydrogenation, crosslinking and polymerization reactions to accelerate coke evolution.</description><identifier>ISSN: 0016-2361</identifier><identifier>EISSN: 1873-7153</identifier><identifier>DOI: 10.1016/j.fuel.2021.122676</identifier><language>eng</language><publisher>Kidlington: Elsevier Ltd</publisher><subject>Aromatic compounds ; Chemical composition ; Coke ; Coke structure ; Coking ; Coking mechanism ; Combustion ; Crosslinking ; Dehydrogenation ; Enthalpy ; Evolution ; Exothermic reactions ; Functional groups ; Low temperature ; Low temperature oxidation ; Morphology ; Oxidation ; Pyrolysis ; Structural analysis ; Ultra-heavy oil ; XPS</subject><ispartof>Fuel (Guildford), 2022-04, Vol.313, p.122676, Article 122676</ispartof><rights>2021 Elsevier Ltd</rights><rights>Copyright Elsevier BV Apr 1, 2022</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c328t-b7a2cbb5bb0f66fa1652cd268a54d2f2200e0d1de4c5e8561e8a4a85b4d00a8e3</citedby><cites>FETCH-LOGICAL-c328t-b7a2cbb5bb0f66fa1652cd268a54d2f2200e0d1de4c5e8561e8a4a85b4d00a8e3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.fuel.2021.122676$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids></links><search><creatorcontrib>Chen, Ya-fei</creatorcontrib><creatorcontrib>Yin, Hong</creatorcontrib><creatorcontrib>He, Dong-lin</creatorcontrib><creatorcontrib>Gong, Hai-feng</creatorcontrib><creatorcontrib>Liu, Zhe-zhi</creatorcontrib><creatorcontrib>Liu, Yun-qi</creatorcontrib><creatorcontrib>Zhang, Xian-ming</creatorcontrib><creatorcontrib>Pu, Wan-fen</creatorcontrib><title>Low temperature oxidized coke of the ultra-heavy oil during in-situ combustion process: Structural characterization and evolution elucidation</title><title>Fuel (Guildford)</title><description>•Oxidation behaviors for oxidized and pyrolytic cokes were contrastively estimated.•Coke unique peak at 1590 cm−1 was due to C = C bands in highly conjugated structures.•Air atmosphere had considerable effect on the evolution of C/N/S- functional groups.•Complex physical and chemical reactions in LTO process promoted coke formation.
Fundamental knowledge on the evolution of low temperature oxidized coke was a prerequisite towards a deep understanding of coke deposition and subsequent combustion of ultra-heavy oils during in-situ combustion (ISC) process. This study investigated the structural characterization (oxidation behavior, elemental composition, functional groups, and morphology) and elucidated evolution mechanism of cokes generated from the low temperature oxidation/pyrolysis of the ultra-heavy oil during ISC process. The results shown that, compared with pyrolytic coke, the intermediate groups of C-O/C-OH (1260–1060 cm−1) were further oxidized into C = O (1850–1650 cm−1) groups and finally converted into C = C groups (“coke peak”, 1590 cm−1) in highly conjugated aromatic structures for oxidized cokes. Besides, the oxidized coking condition would result in a higher degree of substitution (γCHAr1, γCHAr4) of aromatic rings (900–700 cm−1) and promote the evolution of N- and S- functional groups. Although >78 % of C 1 s belonged to the graphitic carbon for four cokes, morphologies of oxidized cokes were relatively coarse with much looser distribution. In addition, the corresponding enthalpies were in the order cokeLTO3 (25.51 kJ·g−1) > cokeLTP (24.22 kJ·g−1) > cokeLTO2 (23.23 kJ·g−1) > cokeLTO1 (17.45 kJ·g−1), indicating a considerable contribution of low temperature oxidation reactions on derived coke morphology, oxidizability and exothermicity, which contained complicated and crucial dehydrogenation, crosslinking and polymerization reactions to accelerate coke evolution.</description><subject>Aromatic compounds</subject><subject>Chemical composition</subject><subject>Coke</subject><subject>Coke structure</subject><subject>Coking</subject><subject>Coking mechanism</subject><subject>Combustion</subject><subject>Crosslinking</subject><subject>Dehydrogenation</subject><subject>Enthalpy</subject><subject>Evolution</subject><subject>Exothermic reactions</subject><subject>Functional groups</subject><subject>Low temperature</subject><subject>Low temperature oxidation</subject><subject>Morphology</subject><subject>Oxidation</subject><subject>Pyrolysis</subject><subject>Structural analysis</subject><subject>Ultra-heavy oil</subject><subject>XPS</subject><issn>0016-2361</issn><issn>1873-7153</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp9kM1uEzEUha2KSg0tL8DKEusJ156xxyA2qGoLUiQWLWvLY98hDpNx8E_68w68M07SNauro_ude48OIe8ZLBkw-XGzHAtOSw6cLRnnspdnZMFU3zY9E-0bsoBKNbyV7IK8TWkDAL0S3YL8XYVHmnG7w2hyiUjDk3f-BR214XdVI81rpGXK0TRrNPtnGvxEXYl-_kX93CSfS0W3Q0nZh5nuYrCY0md6n2Ox9aKZqF2baGzG6F_METKzo7gPUzkqnIr17ri5IuejmRK-e52X5OftzcP1t2b14-779ddVY1uucjP0htthEMMAo5SjYVJw67hURnSOj5wDIDjmsLMClZAMlemMEkPnAIzC9pJ8ON2tcf8UTFlvQolzfam57AA-KZCiUvxE2RhSijjqXfRbE581A32oXW_0oXZ9qF2faq-mLycT1vx7j1En63G26HxEm7UL_n_2fxqbj8o</recordid><startdate>20220401</startdate><enddate>20220401</enddate><creator>Chen, Ya-fei</creator><creator>Yin, Hong</creator><creator>He, Dong-lin</creator><creator>Gong, Hai-feng</creator><creator>Liu, Zhe-zhi</creator><creator>Liu, Yun-qi</creator><creator>Zhang, Xian-ming</creator><creator>Pu, Wan-fen</creator><general>Elsevier Ltd</general><general>Elsevier BV</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>7QO</scope><scope>7QQ</scope><scope>7SC</scope><scope>7SE</scope><scope>7SP</scope><scope>7SR</scope><scope>7T7</scope><scope>7TA</scope><scope>7TB</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>F28</scope><scope>FR3</scope><scope>H8D</scope><scope>H8G</scope><scope>JG9</scope><scope>JQ2</scope><scope>KR7</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><scope>P64</scope></search><sort><creationdate>20220401</creationdate><title>Low temperature oxidized coke of the ultra-heavy oil during in-situ combustion process: Structural characterization and evolution elucidation</title><author>Chen, Ya-fei ; 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Fundamental knowledge on the evolution of low temperature oxidized coke was a prerequisite towards a deep understanding of coke deposition and subsequent combustion of ultra-heavy oils during in-situ combustion (ISC) process. This study investigated the structural characterization (oxidation behavior, elemental composition, functional groups, and morphology) and elucidated evolution mechanism of cokes generated from the low temperature oxidation/pyrolysis of the ultra-heavy oil during ISC process. The results shown that, compared with pyrolytic coke, the intermediate groups of C-O/C-OH (1260–1060 cm−1) were further oxidized into C = O (1850–1650 cm−1) groups and finally converted into C = C groups (“coke peak”, 1590 cm−1) in highly conjugated aromatic structures for oxidized cokes. Besides, the oxidized coking condition would result in a higher degree of substitution (γCHAr1, γCHAr4) of aromatic rings (900–700 cm−1) and promote the evolution of N- and S- functional groups. Although >78 % of C 1 s belonged to the graphitic carbon for four cokes, morphologies of oxidized cokes were relatively coarse with much looser distribution. In addition, the corresponding enthalpies were in the order cokeLTO3 (25.51 kJ·g−1) > cokeLTP (24.22 kJ·g−1) > cokeLTO2 (23.23 kJ·g−1) > cokeLTO1 (17.45 kJ·g−1), indicating a considerable contribution of low temperature oxidation reactions on derived coke morphology, oxidizability and exothermicity, which contained complicated and crucial dehydrogenation, crosslinking and polymerization reactions to accelerate coke evolution.</abstract><cop>Kidlington</cop><pub>Elsevier Ltd</pub><doi>10.1016/j.fuel.2021.122676</doi></addata></record> |
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| subjects | Aromatic compounds Chemical composition Coke Coke structure Coking Coking mechanism Combustion Crosslinking Dehydrogenation Enthalpy Evolution Exothermic reactions Functional groups Low temperature Low temperature oxidation Morphology Oxidation Pyrolysis Structural analysis Ultra-heavy oil XPS |
| title | Low temperature oxidized coke of the ultra-heavy oil during in-situ combustion process: Structural characterization and evolution elucidation |
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