Distillation-based Droplet Modeling of Non-Ideal Oxygenated Gasoline Blends: Investigating the Role of Droplet Evaporation on PM Emissions

Burke, Stephen C.; Ratcliff, Matthew; McCormick, Robert; Rhoads, Robert; Windom, Bret

doi:10.4271/2017-01-0581

Title: Distillation-based Droplet Modeling of Non-Ideal Oxygenated Gasoline Blends: Investigating the Role of Droplet Evaporation on PM Emissions

Abstract

In some studies, a relationship has been observed between increasing ethanol content in gasoline and increased particulate matter (PM) emissions from vehicles equipped with spark ignition engines. The fundamental cause of the PM increase seen for moderate ethanol concentrations is not well understood. Ethanol features a greater heat of vaporization (HOV) than gasoline and also influences vaporization by altering the liquid and vapor composition throughout the distillation process. A droplet vaporization model was developed to explore ethanol's effect on the evaporation of aromatic compounds known to be PM precursors. The evolving droplet composition is modeled as a distillation process, with non-ideal interactions between oxygenates and hydrocarbons accounted for using UNIFAC group contribution theory. Predicted composition and distillation curves were validated by experiments. Detailed hydrocarbon analysis was applied to fuel samples and to distillate fractions, and used as input for the initial droplet composition. With composition calculated throughout the distillation, the changing HOV and other physical properties can be found using reference data. The droplet can thus be modeled in terms of energy transfer, which in turn provides the transient mass transfer, droplet temperature, and droplet diameter. Model predictions suggest that non-ideal vapor-liquid equilibrium along with an increase in HOV canmore »« less

Authors:

Burke, Stephen C. ^[1]; Ratcliff, Matthew ^[2]; McCormick, Robert ^[2]; Rhoads, Robert ^[3]; Windom, Bret ^[1]

Colorado State Univ., Fort Collins, CO (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Univ. of Colorado, Colorado Springs, CO (United States)

Publication Date:: Tue Mar 28 00:00:00 EDT 2017

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); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Sustainable Transportation Office. Bioenergy Technologies Office

OSTI Identifier:: 1351160

Report Number(s):: NREL/JA-5400-67616
Journal ID: ISSN 1946-3960

Grant/Contract Number:: AC36-08GO28308; AC36-99GO10337

Resource Type:: Accepted Manuscript

Journal Name:: SAE International Journal of Fuels and Lubricants (Online)

Additional Journal Information:: Journal Name: SAE International Journal of Fuels and Lubricants (Online); Journal Volume: 10; Journal Issue: 1; Journal ID: ISSN 1946-3960

Publisher:: SAE International

Country of Publication:: United States

Language:: English

Subject:: 30 DIRECT ENERGY CONVERSION; 02 PETROLEUM; ethanol; spark-ignition engine; particle emissions; distillation; heat of vaporization

Citation Formats


                    Burke, Stephen C., Ratcliff, Matthew, McCormick, Robert, Rhoads, Robert, and Windom, Bret. Distillation-based Droplet Modeling of Non-Ideal Oxygenated Gasoline Blends: Investigating the Role of Droplet Evaporation on PM Emissions.  United States: N. p., 2017. 
Web.  doi:10.4271/2017-01-0581.

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                    Burke, Stephen C., Ratcliff, Matthew, McCormick, Robert, Rhoads, Robert, & Windom, Bret. Distillation-based Droplet Modeling of Non-Ideal Oxygenated Gasoline Blends: Investigating the Role of Droplet Evaporation on PM Emissions.  United States.  https://doi.org/10.4271/2017-01-0581

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                    Burke, Stephen C., Ratcliff, Matthew, McCormick, Robert, Rhoads, Robert, and Windom, Bret. Tue .  
"Distillation-based Droplet Modeling of Non-Ideal Oxygenated Gasoline Blends: Investigating the Role of Droplet Evaporation on PM Emissions".  United States.  https://doi.org/10.4271/2017-01-0581.  https://www.osti.gov/servlets/purl/1351160.

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@article{osti_1351160,

  title        = {Distillation-based Droplet Modeling of Non-Ideal Oxygenated Gasoline Blends: Investigating the Role of Droplet Evaporation on PM Emissions},

  author       = {Burke, Stephen C. and Ratcliff, Matthew and McCormick, Robert and Rhoads, Robert and Windom, Bret},

  abstractNote = {In some studies, a relationship has been observed between increasing ethanol content in gasoline and increased particulate matter (PM) emissions from vehicles equipped with spark ignition engines. The fundamental cause of the PM increase seen for moderate ethanol concentrations is not well understood. Ethanol features a greater heat of vaporization (HOV) than gasoline and also influences vaporization by altering the liquid and vapor composition throughout the distillation process. A droplet vaporization model was developed to explore ethanol's effect on the evaporation of aromatic compounds known to be PM precursors. The evolving droplet composition is modeled as a distillation process, with non-ideal interactions between oxygenates and hydrocarbons accounted for using UNIFAC group contribution theory. Predicted composition and distillation curves were validated by experiments. Detailed hydrocarbon analysis was applied to fuel samples and to distillate fractions, and used as input for the initial droplet composition. With composition calculated throughout the distillation, the changing HOV and other physical properties can be found using reference data. The droplet can thus be modeled in terms of energy transfer, which in turn provides the transient mass transfer, droplet temperature, and droplet diameter. Model predictions suggest that non-ideal vapor-liquid equilibrium along with an increase in HOV can alter the droplet composition evolution. Results predict that the presence of ethanol causes enrichment of the higher boiling fractions (T90+) in the aromatic components as well as lengthens the droplet lifetime. A simulation of the evaporation process in a transient environment as experienced within an engine cylinder predicts a decrease in mixing time of the heaviest fractions of the fuel prior to spark initiation, possibly explaining observations linking ethanol to PM.},

  doi          = {10.4271/2017-01-0581},

  journal      = {SAE International Journal of Fuels and Lubricants (Online)},

  number       = 1,

  volume       = 10,

  place        = {United States},

  year         = {Tue Mar 28 00:00:00 EDT 2017},

  month        = {Tue Mar 28 00:00:00 EDT 2017}

}

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Works referencing / citing this record:

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Raza, Mohsin; Chen, Longfei; Leach, Felix
Energies, Vol. 11, Issue 6
DOI: 10.3390/en11061417

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Title: Distillation-based Droplet Modeling of Non-Ideal Oxygenated Gasoline Blends: Investigating the Role of Droplet Evaporation on PM Emissions

Abstract

Citation Formats

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