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Title: Diesel surrogate fuels for engine testing and chemical-kinetic modeling: Compositions and properties

The primary objectives of this work were to formulate, blend, and characterize a set of four ultralow-sulfur diesel surrogate fuels in quantities sufficient to enable their study in single-cylinder-engine and combustion-vessel experiments. The surrogate fuels feature increasing levels of compositional accuracy (i.e., increasing exactness in matching hydrocarbon structural characteristics) relative to the single target diesel fuel upon which the surrogate fuels are based. This approach was taken to assist in determining the minimum level of surrogate-fuel compositional accuracy that is required to adequately emulate the performance characteristics of the target fuel under different combustion modes. For each of the four surrogate fuels, an approximately 30 L batch was blended, and a number of the physical and chemical properties were measured. In conclusion, this work documents the surrogate-fuel creation process and the results of the property measurements.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [2] ;  [5] ;  [5] ;  [4] ;  [6] ;  [7] ;  [8] ;  [9]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Chevron Energy Technology Company, Richmond, CA (United States)
  3. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  4. National Institute of Standards and Technology, Boulder, CO (United States)
  5. Natural Resources Canada (CanmetENERGY), Devon, AB (Canada)
  6. U.S. Army Research Lab., Aberdeen Proving Ground, MD (United States)
  7. Marathon Petroleum Company, Findlay, OH (United States)
  8. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  9. National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Report Number(s):
NREL/JA-5400-66159; PNNL-SA-114639; SAND-2016-12369J; LLNL-JRNL-679599
Journal ID: ISSN 0887-0624
Grant/Contract Number:
AC36-08GO28308; AC04-94AL85000; AC05-76RL01830; AC52-07NA27344; DE347AC36-99GO10337; AC36-99GO10337; PERD and ecoEII; 347AC36-99GO10337
Type:
Published Article
Journal Name:
Energy and Fuels
Additional Journal Information:
Journal Volume: 30; Journal Issue: 2; Journal ID: ISSN 0887-0624
Publisher:
American Chemical Society (ACS)
Research Org:
National Renewable Energy Lab. (NREL), Golden, CO (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
30 DIRECT ENERGY CONVERSION; surrogate fuels; combustion modes; 33 ADVANCED PROPULSION SYSTEMS; 02 PETROLEUM; advanced distillation curve; aftertreatment; cetane number; diesel; fuel characterization; nuclear magnetic resonance; regression model; surrogate fuel; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1237000
Alternate Identifier(s):
OSTI ID: 1242677; OSTI ID: 1249363; OSTI ID: 1340257; OSTI ID: 1409954

Mueller, Charles J., Cannella, William J., Bays, J. Timothy, Bruno, Thomas J., DeFabio, Kathy, Dettman, Heather D., Gieleciak, Rafal M., Huber, Marcia L., Kweon, Chol -Bum, McConnell, Steven S., Pitz, William J., and Ratcliff, Matthew A.. Diesel surrogate fuels for engine testing and chemical-kinetic modeling: Compositions and properties. United States: N. p., Web. doi:10.1021/acs.energyfuels.5b02879.
Mueller, Charles J., Cannella, William J., Bays, J. Timothy, Bruno, Thomas J., DeFabio, Kathy, Dettman, Heather D., Gieleciak, Rafal M., Huber, Marcia L., Kweon, Chol -Bum, McConnell, Steven S., Pitz, William J., & Ratcliff, Matthew A.. Diesel surrogate fuels for engine testing and chemical-kinetic modeling: Compositions and properties. United States. doi:10.1021/acs.energyfuels.5b02879.
Mueller, Charles J., Cannella, William J., Bays, J. Timothy, Bruno, Thomas J., DeFabio, Kathy, Dettman, Heather D., Gieleciak, Rafal M., Huber, Marcia L., Kweon, Chol -Bum, McConnell, Steven S., Pitz, William J., and Ratcliff, Matthew A.. 2016. "Diesel surrogate fuels for engine testing and chemical-kinetic modeling: Compositions and properties". United States. doi:10.1021/acs.energyfuels.5b02879.
@article{osti_1237000,
title = {Diesel surrogate fuels for engine testing and chemical-kinetic modeling: Compositions and properties},
author = {Mueller, Charles J. and Cannella, William J. and Bays, J. Timothy and Bruno, Thomas J. and DeFabio, Kathy and Dettman, Heather D. and Gieleciak, Rafal M. and Huber, Marcia L. and Kweon, Chol -Bum and McConnell, Steven S. and Pitz, William J. and Ratcliff, Matthew A.},
abstractNote = {The primary objectives of this work were to formulate, blend, and characterize a set of four ultralow-sulfur diesel surrogate fuels in quantities sufficient to enable their study in single-cylinder-engine and combustion-vessel experiments. The surrogate fuels feature increasing levels of compositional accuracy (i.e., increasing exactness in matching hydrocarbon structural characteristics) relative to the single target diesel fuel upon which the surrogate fuels are based. This approach was taken to assist in determining the minimum level of surrogate-fuel compositional accuracy that is required to adequately emulate the performance characteristics of the target fuel under different combustion modes. For each of the four surrogate fuels, an approximately 30 L batch was blended, and a number of the physical and chemical properties were measured. In conclusion, this work documents the surrogate-fuel creation process and the results of the property measurements.},
doi = {10.1021/acs.energyfuels.5b02879},
journal = {Energy and Fuels},
number = 2,
volume = 30,
place = {United States},
year = {2016},
month = {1}
}