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Kinetic model-based group contribution method for derived cetane number prediction of oxygenated fuel components and blends

Journal Article · · Combustion and Flame
 [1];  [2];  [2]
  1. University of Wisconsin, Madison, WI (United States); University of Wisconsin Madison
  2. University of Wisconsin, Madison, WI (United States)
+ Show Author Affiliations
A four-step autoignition model was used to derive an expression for the ignition delay (ID) measured in ignition quality testers (IQT) with the derived cetane number (DCN) determined from this ID using the ASTM D6890 standard correlation. The model predicts DCN for individual compounds and blends as a function of each compound's global initiation and net chain branching rate constants. Expressions for these values were determined assuming they could be related to the functional groups present in each compound. Measurement data for 125 compounds and 94 binary and ternary blends (including oxygenates: alcohols, aldehydes, esters, ethers, and ketones), from literature and from measurements performed in our lab, were used to obtain the dependence of the measured ignition delay on each functional group. The new kinetic model-based group contribution method was able to predict the ignition delay of both pure compounds and blends, with an average DCN error of 4.4 (19%) and 2.8 (11%), respectively. Here, the blend model was also used to develop an ID mixing rule by incorporating existing IQT ignition delay data for each compound. Use of the mixing rule gave an average DCN error of 3.6 (16%) for blends. Both the blend model and mixing rule were found to be superior compared to standard linear by volume fraction or mole fraction mixing rules commonly used to estimate the DCN of mixtures.
Research Organization:
University of Wisconsin, Madison, WI (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Bioenergy Technologies Office (BETO)
Grant/Contract Number:
EE0008480
OSTI ID:
2335699
Alternate ID(s):
OSTI ID: 2009033
Journal Information:
Combustion and Flame, Journal Name: Combustion and Flame Vol. 255; ISSN 0010-2180
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

42 ENGINEERING
Autoignition
Group contribution methods
Ignition quality tester