Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure
As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional co...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Huang, Shuai [verfasserIn] Chang, Yachao [verfasserIn] Dong, Xue [verfasserIn] Jia, Ming [verfasserIn] Li, Tao [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2022 |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: Proceedings of the Combustion Institute - Combustion Institute ; ID: gnd/1004025-0, Amsterdam [u.a.] : Elsevier, 2000, 39, Seite 105-113 |
|---|---|
| Übergeordnetes Werk: |
volume:39 ; pages:105-113 |
| DOI / URN: |
10.1016/j.proci.2022.07.028 |
|---|
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ELV010199551 |
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| 520 | |a As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C0–C3 sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method. | ||
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| 650 | 4 | |a Skeletal oxidation mechanism | |
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10.1016/j.proci.2022.07.028 doi (DE-627)ELV010199551 (ELSEVIER)S1540-7489(22)00061-X DE-627 ger DE-627 rda eng 660 VZ Huang, Shuai verfasserin aut Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure 2022 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C0–C3 sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method. Mono-alkylated cyclohexane Skeletal oxidation mechanism Reaction rate rule Laminar flame speed Decoupling methodology Chang, Yachao verfasserin aut Dong, Xue verfasserin aut Jia, Ming verfasserin (orcid)0000-0003-2544-0259 aut Li, Tao verfasserin aut Enthalten in Combustion Institute ; ID: gnd/1004025-0 Proceedings of the Combustion Institute Amsterdam [u.a.] : Elsevier, 2000 39, Seite 105-113 Online-Ressource (DE-627)495741140 (DE-600)2197968-6 (DE-576)259486582 1873-2704 nnns volume:39 pages:105-113 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_31 GBV_ILN_63 GBV_ILN_95 GBV_ILN_150 GBV_ILN_2004 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2336 GBV_ILN_4251 AR 39 105-113 |
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10.1016/j.proci.2022.07.028 doi (DE-627)ELV010199551 (ELSEVIER)S1540-7489(22)00061-X DE-627 ger DE-627 rda eng 660 VZ Huang, Shuai verfasserin aut Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure 2022 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C0–C3 sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method. Mono-alkylated cyclohexane Skeletal oxidation mechanism Reaction rate rule Laminar flame speed Decoupling methodology Chang, Yachao verfasserin aut Dong, Xue verfasserin aut Jia, Ming verfasserin (orcid)0000-0003-2544-0259 aut Li, Tao verfasserin aut Enthalten in Combustion Institute ; ID: gnd/1004025-0 Proceedings of the Combustion Institute Amsterdam [u.a.] : Elsevier, 2000 39, Seite 105-113 Online-Ressource (DE-627)495741140 (DE-600)2197968-6 (DE-576)259486582 1873-2704 nnns volume:39 pages:105-113 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_31 GBV_ILN_63 GBV_ILN_95 GBV_ILN_150 GBV_ILN_2004 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2336 GBV_ILN_4251 AR 39 105-113 |
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10.1016/j.proci.2022.07.028 doi (DE-627)ELV010199551 (ELSEVIER)S1540-7489(22)00061-X DE-627 ger DE-627 rda eng 660 VZ Huang, Shuai verfasserin aut Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure 2022 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C0–C3 sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method. Mono-alkylated cyclohexane Skeletal oxidation mechanism Reaction rate rule Laminar flame speed Decoupling methodology Chang, Yachao verfasserin aut Dong, Xue verfasserin aut Jia, Ming verfasserin (orcid)0000-0003-2544-0259 aut Li, Tao verfasserin aut Enthalten in Combustion Institute ; ID: gnd/1004025-0 Proceedings of the Combustion Institute Amsterdam [u.a.] : Elsevier, 2000 39, Seite 105-113 Online-Ressource (DE-627)495741140 (DE-600)2197968-6 (DE-576)259486582 1873-2704 nnns volume:39 pages:105-113 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_31 GBV_ILN_63 GBV_ILN_95 GBV_ILN_150 GBV_ILN_2004 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2336 GBV_ILN_4251 AR 39 105-113 |
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10.1016/j.proci.2022.07.028 doi (DE-627)ELV010199551 (ELSEVIER)S1540-7489(22)00061-X DE-627 ger DE-627 rda eng 660 VZ Huang, Shuai verfasserin aut Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure 2022 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C0–C3 sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method. Mono-alkylated cyclohexane Skeletal oxidation mechanism Reaction rate rule Laminar flame speed Decoupling methodology Chang, Yachao verfasserin aut Dong, Xue verfasserin aut Jia, Ming verfasserin (orcid)0000-0003-2544-0259 aut Li, Tao verfasserin aut Enthalten in Combustion Institute ; ID: gnd/1004025-0 Proceedings of the Combustion Institute Amsterdam [u.a.] : Elsevier, 2000 39, Seite 105-113 Online-Ressource (DE-627)495741140 (DE-600)2197968-6 (DE-576)259486582 1873-2704 nnns volume:39 pages:105-113 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_31 GBV_ILN_63 GBV_ILN_95 GBV_ILN_150 GBV_ILN_2004 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2336 GBV_ILN_4251 AR 39 105-113 |
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10.1016/j.proci.2022.07.028 doi (DE-627)ELV010199551 (ELSEVIER)S1540-7489(22)00061-X DE-627 ger DE-627 rda eng 660 VZ Huang, Shuai verfasserin aut Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure 2022 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C0–C3 sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method. Mono-alkylated cyclohexane Skeletal oxidation mechanism Reaction rate rule Laminar flame speed Decoupling methodology Chang, Yachao verfasserin aut Dong, Xue verfasserin aut Jia, Ming verfasserin (orcid)0000-0003-2544-0259 aut Li, Tao verfasserin aut Enthalten in Combustion Institute ; ID: gnd/1004025-0 Proceedings of the Combustion Institute Amsterdam [u.a.] : Elsevier, 2000 39, Seite 105-113 Online-Ressource (DE-627)495741140 (DE-600)2197968-6 (DE-576)259486582 1873-2704 nnns volume:39 pages:105-113 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_31 GBV_ILN_63 GBV_ILN_95 GBV_ILN_150 GBV_ILN_2004 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2336 GBV_ILN_4251 AR 39 105-113 |
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ddc 660 misc Mono-alkylated cyclohexane misc Skeletal oxidation mechanism misc Reaction rate rule misc Laminar flame speed misc Decoupling methodology |
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ddc 660 misc Mono-alkylated cyclohexane misc Skeletal oxidation mechanism misc Reaction rate rule misc Laminar flame speed misc Decoupling methodology |
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Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure |
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Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure |
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Huang, Shuai |
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Proceedings of the Combustion Institute |
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Proceedings of the Combustion Institute |
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2022 |
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Huang, Shuai Chang, Yachao Dong, Xue Jia, Ming Li, Tao |
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Elektronische Aufsätze |
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Huang, Shuai |
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10.1016/j.proci.2022.07.028 |
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establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure |
| title_auth |
Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure |
| abstract |
As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C0–C3 sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method. |
| abstractGer |
As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C0–C3 sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method. |
| abstract_unstemmed |
As a major chemical class of fossil fuels, mono-alkylated cyclohexanes are frequently employed to construct the surrogate fuels of fossil fuels. Much effort has been made to study the oxidation behavior of mono-alkylated cyclohexanes, but reduced/skeletal mechanisms suitable for multi-dimensional combustion simulations are still scarce. In this work, a set of skeletal models for mono-alkylated cyclohexanes from methyl-cyclohexane (MCH) to octyl-cyclohexane (n-OTCH) were built and deduced by integrating the decoupling methodology and reaction rate rules. The development process contains two parts, i.e., the skeletal model establishment for the base fuel and the skeletal model deduction for other fuels utilizing the reaction rate rules. For mono-alkylated cyclohexanes, the reactions in the fuel-relevant sub-model also dominate the laminar flame speed, apart from the C0–C3 sub-model, which differs from that of n-alkanes. To well capture the flame propagation behavior, the local sensitivity analysis on the comprehensive mechanism was introduced. For each mono-alkylated cyclohexane, the skeletal model includes 52 species and 216 reactions. The final skeletal models were validated against extensive experimental measurements in jet-stirred reactors, shock tubes, rapid compression machines, and premixed flames over wide operating conditions. Satisfactory agreements between the observed data and simulated results are achieved, which indicates the practicability of the proposed method. |
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| title_short |
Establishment of a set of skeletal oxidation mechanisms for mono-alkylated cyclohexanes with consistent structure |
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Chang, Yachao Dong, Xue Jia, Ming Li, Tao |
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