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Title: Fuel Property Characterization and Prediction

Abstract

The Fuel Property Characterization and Prediction effect with the Co-Optimization of Fuels and Engines (Co-Optima) initiative is focused on the measurement or prediction of key fuel properties. Efforts under the Vehicle Technologies Office (VTO) have focused on understanding how fuel evaporation phenomena can impact auto-ignition, mixing, and pollutant formation by studying the most important azeotropic interactions between alcohols and gasoline components utilizing a novel Differential Scanning Calorimetry/Thermogravimetric Analysis instrument coupled to a Mass Spectrometer (DSC/TGA/MS). In another effort, Nuclear Magnetic Resonance (NMR) measurements were utilized to understand how oxygenate clusters and networks contribute to vapor pressure effects. This is critical for predicting fuel droplet evaporation and effects on combustion. A method was developed on the Advanced Fuel Ignition Delay Analyzer (AFIDA) to rapidly measure the Research Octane Number (RON) and Sensitivity (S) of samples utilizing small volumes, which will aid in the pace of development of new fuels having targeted properties. Additionally, the AFIDA was employed to develop a method for fast measurement of phi-sensitivity in a bench-scale test that will allow studies of molecular structure effects on mechanism kinetics of this poorly understood kinetic phenomena. A flow reactor was also utilized to investigate the mechanistic basis of phi-sensitivity bymore » identifying and quantitating key species in autoignition mechanisms that can explain phi-sensitivity. The outcomes of these efforts will help ensure that the Co-Optima program can advance the underlying science needed to develop biomass-derived-fuel and advanced engine technologies that will work in tandem to achieve Co-Optima's efficiency, environmental, and economic goals.« less

Authors:
ORCiD logo [1]; ORCiD logo [1];  [1]; ORCiD logo [1]; ORCiD logo [1];  [2];  [2];  [3]
  1. National Renewable Energy Laboratory (NREL), Golden, CO (United States)
  2. Pacific Northwest National Laboratory
  3. Sandia National Laboratories
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
OSTI Identifier:
1547258
Report Number(s):
NREL/PR-5400-73753
DOE Contract Number:  
AC36-08GO28308
Resource Type:
Conference
Resource Relation:
Conference: Presented at the 2019 Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting, 10-13 June 2019, Arlington, Virginia
Country of Publication:
United States
Language:
English
Subject:
33 ADVANCED PROPULSION SYSTEMS; flow reactor; biomass-derived-fuel; phi sensitivity; heat of vaporization; DSC/TGA/MS; AFIDA; Co-Optima

Citation Formats

Fioroni, Gina M, Zigler, Bradley T, Luecke, Jon H, Dutta, Abhijit, McCormick, Robert L, Bays, T., Polikarpov, E., and Taatjes, C. Fuel Property Characterization and Prediction. United States: N. p., 2019. Web.
Fioroni, Gina M, Zigler, Bradley T, Luecke, Jon H, Dutta, Abhijit, McCormick, Robert L, Bays, T., Polikarpov, E., & Taatjes, C. Fuel Property Characterization and Prediction. United States.
Fioroni, Gina M, Zigler, Bradley T, Luecke, Jon H, Dutta, Abhijit, McCormick, Robert L, Bays, T., Polikarpov, E., and Taatjes, C. Tue . "Fuel Property Characterization and Prediction". United States. https://www.osti.gov/servlets/purl/1547258.
@article{osti_1547258,
title = {Fuel Property Characterization and Prediction},
author = {Fioroni, Gina M and Zigler, Bradley T and Luecke, Jon H and Dutta, Abhijit and McCormick, Robert L and Bays, T. and Polikarpov, E. and Taatjes, C.},
abstractNote = {The Fuel Property Characterization and Prediction effect with the Co-Optimization of Fuels and Engines (Co-Optima) initiative is focused on the measurement or prediction of key fuel properties. Efforts under the Vehicle Technologies Office (VTO) have focused on understanding how fuel evaporation phenomena can impact auto-ignition, mixing, and pollutant formation by studying the most important azeotropic interactions between alcohols and gasoline components utilizing a novel Differential Scanning Calorimetry/Thermogravimetric Analysis instrument coupled to a Mass Spectrometer (DSC/TGA/MS). In another effort, Nuclear Magnetic Resonance (NMR) measurements were utilized to understand how oxygenate clusters and networks contribute to vapor pressure effects. This is critical for predicting fuel droplet evaporation and effects on combustion. A method was developed on the Advanced Fuel Ignition Delay Analyzer (AFIDA) to rapidly measure the Research Octane Number (RON) and Sensitivity (S) of samples utilizing small volumes, which will aid in the pace of development of new fuels having targeted properties. Additionally, the AFIDA was employed to develop a method for fast measurement of phi-sensitivity in a bench-scale test that will allow studies of molecular structure effects on mechanism kinetics of this poorly understood kinetic phenomena. A flow reactor was also utilized to investigate the mechanistic basis of phi-sensitivity by identifying and quantitating key species in autoignition mechanisms that can explain phi-sensitivity. The outcomes of these efforts will help ensure that the Co-Optima program can advance the underlying science needed to develop biomass-derived-fuel and advanced engine technologies that will work in tandem to achieve Co-Optima's efficiency, environmental, and economic goals.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {7}
}

Conference:
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