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Emission characteristics and combustion simulation of biodiesel−diesel blends using a reduced mechanism.

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Title: Emission characteristics and combustion simulation of biodiesel−diesel blends using a reduced mechanism.
Authors: Sethi, Abhed1 (AUTHOR), Kumar, Gaurav1 (AUTHOR), Kumar, Saket1 (AUTHOR), Budhraja, Neeraj1 (AUTHOR) neeraj_budhraja@yahoo.com, Lalhriatpuia, S.1 (AUTHOR), Khan, Yunis1 (AUTHOR), Singh, Raj Kumar1 (AUTHOR)
Source: Environmental Progress & Sustainable Energy. May/Jun2026, Vol. 45 Issue 3, p1-12. 12p.
Subjects: Biodiesel fuels, Emissions (Air pollution), Waste gases, Reaction mechanisms (Chemistry), Combustion, Combustion engineering
Abstract: The study presents the development and validation of a reduced biodiesel combustion mechanism consisting of 168 species and 1018 reactions, derived from the Lawrence Livermore National Laboratory (LLNL) detailed mechanism containing 3299 species and 10,806 reactions. The reduction process, employing Directed Relation Graph with Error Propagation (DRGEP) and Path Flux Analysis (PFA), is based on a surrogate blend of methyl decanoate (MD), methyl‐9‐decenoate (MD9D), and n‐heptane, which effectively represents the molecular structure of biodiesel's key constituents with varying degrees of unsaturation. The reduced mechanism is evaluated through homogeneous auto‐ignition and perfectly stirred reactor (PSR) combustion simulations under distinct combustion conditions. The combustion simulations of three biodiesel‐diesel blends—100% biodiesel, 50% biodiesel‐50% diesel, and 100% diesel—were performed using the reduced mechanism mentioned above to analyze pollutant emissions, including carbon monoxide (CO), unburned hydrocarbons (UHC), acetylene (C2H2), and nitrous oxides (NO, and NO2). The results indicate that 100% diesel generates the highest emissions, while 100% biodiesel produces the lowest due to its higher oxygen content, which enhances combustion efficiency. However, 100% biodiesel's widespread usage is constrained by its high cost, poor low‐temperature performance, and compatibility issues. The optimal balance between emissions reduction, cost, cold‐weather performance, and engine compatibility was achieved with a 50% biodiesel‐50% diesel blend, as its emission values fall between those of pure biodiesel and pure diesel. This study underscores the potential of biodiesel‐diesel blends in reducing pollutant emissions while addressing practical limitations associated with pure biodiesel usage. [ABSTRACT FROM AUTHOR]
Copyright of Environmental Progress & Sustainable Energy is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Emission characteristics and combustion simulation of biodiesel−diesel blends using a reduced mechanism.
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  Data: <searchLink fieldCode="AR" term="%22Sethi%2C+Abhed%22">Sethi, Abhed</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Kumar%2C+Gaurav%22">Kumar, Gaurav</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Kumar%2C+Saket%22">Kumar, Saket</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Budhraja%2C+Neeraj%22">Budhraja, Neeraj</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> neeraj_budhraja@yahoo.com</i><br /><searchLink fieldCode="AR" term="%22Lalhriatpuia%2C+S%2E%22">Lalhriatpuia, S.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Khan%2C+Yunis%22">Khan, Yunis</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Singh%2C+Raj+Kumar%22">Singh, Raj Kumar</searchLink><relatesTo>1</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Environmental+Progress+%26+Sustainable+Energy%22">Environmental Progress & Sustainable Energy</searchLink>. May/Jun2026, Vol. 45 Issue 3, p1-12. 12p.
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  Data: <searchLink fieldCode="DE" term="%22Biodiesel+fuels%22">Biodiesel fuels</searchLink><br /><searchLink fieldCode="DE" term="%22Emissions+%28Air+pollution%29%22">Emissions (Air pollution)</searchLink><br /><searchLink fieldCode="DE" term="%22Waste+gases%22">Waste gases</searchLink><br /><searchLink fieldCode="DE" term="%22Reaction+mechanisms+%28Chemistry%29%22">Reaction mechanisms (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Combustion%22">Combustion</searchLink><br /><searchLink fieldCode="DE" term="%22Combustion+engineering%22">Combustion engineering</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: The study presents the development and validation of a reduced biodiesel combustion mechanism consisting of 168 species and 1018 reactions, derived from the Lawrence Livermore National Laboratory (LLNL) detailed mechanism containing 3299 species and 10,806 reactions. The reduction process, employing Directed Relation Graph with Error Propagation (DRGEP) and Path Flux Analysis (PFA), is based on a surrogate blend of methyl decanoate (MD), methyl‐9‐decenoate (MD9D), and n‐heptane, which effectively represents the molecular structure of biodiesel's key constituents with varying degrees of unsaturation. The reduced mechanism is evaluated through homogeneous auto‐ignition and perfectly stirred reactor (PSR) combustion simulations under distinct combustion conditions. The combustion simulations of three biodiesel‐diesel blends—100% biodiesel, 50% biodiesel‐50% diesel, and 100% diesel—were performed using the reduced mechanism mentioned above to analyze pollutant emissions, including carbon monoxide (CO), unburned hydrocarbons (UHC), acetylene (C2H2), and nitrous oxides (NO, and NO2). The results indicate that 100% diesel generates the highest emissions, while 100% biodiesel produces the lowest due to its higher oxygen content, which enhances combustion efficiency. However, 100% biodiesel's widespread usage is constrained by its high cost, poor low‐temperature performance, and compatibility issues. The optimal balance between emissions reduction, cost, cold‐weather performance, and engine compatibility was achieved with a 50% biodiesel‐50% diesel blend, as its emission values fall between those of pure biodiesel and pure diesel. This study underscores the potential of biodiesel‐diesel blends in reducing pollutant emissions while addressing practical limitations associated with pure biodiesel usage. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Environmental Progress & Sustainable Energy is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1002/ep.70252
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        Text: English
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        PageCount: 12
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      – SubjectFull: Biodiesel fuels
        Type: general
      – SubjectFull: Emissions (Air pollution)
        Type: general
      – SubjectFull: Waste gases
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      – SubjectFull: Reaction mechanisms (Chemistry)
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      – SubjectFull: Combustion
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      – SubjectFull: Combustion engineering
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      – TitleFull: Emission characteristics and combustion simulation of biodiesel−diesel blends using a reduced mechanism.
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              M: 05
              Text: May/Jun2026
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              Y: 2026
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