A chemical kinetic modelling study of the mechanism of soot reduction by oxygenated additives in diesel engines

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Abstract

Oxygenated fuel additives are effective in reducing soot emissions and breaking the soot/NOx tradeoff in diesel engines. The extent to which molecular structure of the oxygenate plays a role in soot reduction has remained unclear and controversial. It has been suggested in the literature that the rapid breakdown of oxygenates to carbon monoxide (CO) and carbon dioxide (CO2), and subsequent interaction between CO and CO2 with the radical pool, may play a key role. Here a constant-pressure homogeneous reactor model, SENKIN, has been used to simulate the effect of small amounts of CO and CO2 on the formation of polycyclic aromatic hydrocarbons, as surrogates for soot, and other key species such as acetylene (C2H2) using three different detailed chemical mechanisms. The addition of O2 was also studied as a reference case. It is found that polycyclic aromatic hydrocarbon (PAH) and C2H2 decrease with CO addition, and increase slightly with the addition of CO2, regardless of the mechanism used. These results suggest that CO produced by oxygenated additives in diesel fuel is able to effect reduction in PAH as suggested in the literature, but does not confirm a similar effect from CO2.

Original languageEnglish (US)
Pages (from-to)163-175
Number of pages13
JournalInternational Journal of Engine Research
Volume2
Issue number3
DOIs
StatePublished - Jan 1 2001

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Soot
Reaction kinetics
Carbon monoxide
Diesel engines
Polycyclic aromatic hydrocarbons
Fuel additives
Acetylene
Diesel fuels
Molecular structure
Carbon dioxide

All Science Journal Classification (ASJC) codes

  • Automotive Engineering
  • Aerospace Engineering
  • Ocean Engineering
  • Mechanical Engineering

Cite this

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title = "A chemical kinetic modelling study of the mechanism of soot reduction by oxygenated additives in diesel engines",
abstract = "Oxygenated fuel additives are effective in reducing soot emissions and breaking the soot/NOx tradeoff in diesel engines. The extent to which molecular structure of the oxygenate plays a role in soot reduction has remained unclear and controversial. It has been suggested in the literature that the rapid breakdown of oxygenates to carbon monoxide (CO) and carbon dioxide (CO2), and subsequent interaction between CO and CO2 with the radical pool, may play a key role. Here a constant-pressure homogeneous reactor model, SENKIN, has been used to simulate the effect of small amounts of CO and CO2 on the formation of polycyclic aromatic hydrocarbons, as surrogates for soot, and other key species such as acetylene (C2H2) using three different detailed chemical mechanisms. The addition of O2 was also studied as a reference case. It is found that polycyclic aromatic hydrocarbon (PAH) and C2H2 decrease with CO addition, and increase slightly with the addition of CO2, regardless of the mechanism used. These results suggest that CO produced by oxygenated additives in diesel fuel is able to effect reduction in PAH as suggested in the literature, but does not confirm a similar effect from CO2.",
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AU - Song, K. H.

AU - Litzinger, Thomas

AU - Haworth, Daniel Connell

PY - 2001/1/1

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N2 - Oxygenated fuel additives are effective in reducing soot emissions and breaking the soot/NOx tradeoff in diesel engines. The extent to which molecular structure of the oxygenate plays a role in soot reduction has remained unclear and controversial. It has been suggested in the literature that the rapid breakdown of oxygenates to carbon monoxide (CO) and carbon dioxide (CO2), and subsequent interaction between CO and CO2 with the radical pool, may play a key role. Here a constant-pressure homogeneous reactor model, SENKIN, has been used to simulate the effect of small amounts of CO and CO2 on the formation of polycyclic aromatic hydrocarbons, as surrogates for soot, and other key species such as acetylene (C2H2) using three different detailed chemical mechanisms. The addition of O2 was also studied as a reference case. It is found that polycyclic aromatic hydrocarbon (PAH) and C2H2 decrease with CO addition, and increase slightly with the addition of CO2, regardless of the mechanism used. These results suggest that CO produced by oxygenated additives in diesel fuel is able to effect reduction in PAH as suggested in the literature, but does not confirm a similar effect from CO2.

AB - Oxygenated fuel additives are effective in reducing soot emissions and breaking the soot/NOx tradeoff in diesel engines. The extent to which molecular structure of the oxygenate plays a role in soot reduction has remained unclear and controversial. It has been suggested in the literature that the rapid breakdown of oxygenates to carbon monoxide (CO) and carbon dioxide (CO2), and subsequent interaction between CO and CO2 with the radical pool, may play a key role. Here a constant-pressure homogeneous reactor model, SENKIN, has been used to simulate the effect of small amounts of CO and CO2 on the formation of polycyclic aromatic hydrocarbons, as surrogates for soot, and other key species such as acetylene (C2H2) using three different detailed chemical mechanisms. The addition of O2 was also studied as a reference case. It is found that polycyclic aromatic hydrocarbon (PAH) and C2H2 decrease with CO addition, and increase slightly with the addition of CO2, regardless of the mechanism used. These results suggest that CO produced by oxygenated additives in diesel fuel is able to effect reduction in PAH as suggested in the literature, but does not confirm a similar effect from CO2.

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