4.7 Article

Chemical kinetic basis of synergistic blending for research octane number

Journal

FUEL
Volume 307, Issue -, Pages -

Publisher

ELSEVIER SCI LTD
DOI: 10.1016/j.fuel.2021.121865

Keywords

Octane number; Nonlinear blending; Combustion kinetics; Ethanol; Furans; Prenol

Funding

  1. U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Bioenergy Technologies Office
  2. National Renewable Energy Laboratory [DE-347AC36-99GO10337]
  3. Lawrence Livermore National Laboratory [DE-AC5207NA27344]
  4. National Foundation [TG-CHE200128]
  5. U.S. Department of Energy Vehicle Technologies Office

Ask authors/readers for more resources

Utilizing kinetic simulations, the study predicted the research octane number (RON) of various synergistic blendstocks at different blend levels, with promising results for ethanol and DMF, but less satisfying results for 2MF and 2M2B. The predictions for prenol did not capture the synergistic blending behavior, indicating a lack of accurate low-temperature chemistry in the kinetic model.
Utilizing kinetic simulations with the Co-Optimization of Fuels & Engines (Co-Optima) mechanism, the research octane number (RON) of various synergistic blendstocks at several blend levels in a four-component surrogate were predicted and compared against measured values. The blendstocks investigated include dimethylfuran (DMF), 2-methylfuran (2MF), prenol, 2-methyl-2-butene (2M2B), and ethanol-selected because of their nonlinear blending or synergistic behavior. The RON predictions are in excellent agreement with measured values for DMF and ethanol (within 2 RON units), with less satisfying results for 2MF and 2M2B (as much as 6 and 12 RON units off respectively). The predictions for prenol do not even capture the synergistic blending behavior observed experimentally, reflecting the fact that the kinetic model for prenol does not include sufficiently accurate low-temperature chemistry. The kinetic model was interrogated to understand the most important reactions consuming the blendstock and surrogate components, to understand the most important reactions responsible for the synergistic blending behavior. Better synergistic blenders scavenge hydroxyl radicals (OH) by addition reactions rather than hydrogen-abstraction (H-abstraction) reactions. In addition, those blendstocks, such as 2M2B, can form resonance-stabilized radical products, leading to superior RON boosting compared to ethanol. DMF and 2MF were shown to have the highest RON-boosting ability due to the rapid reaction of the OH addition products to other species that pull the OH addition equilibrium toward products.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available