Modeling the Auto-Ignition of Biodiesel Blends with a Multi-Step Model
Abstract
There is growing interest in using biodiesel in place of or in blends with petrodiesel in diesel engines; however, biodiesel oxidation chemistry is complicated to directly model and existing surrogate kinetic models are very large, making them computationally expensive. The present study describes a method for predicting the ignition behavior of blends of n-heptane and methyl butanoate, fuels whose blends have been used in the past as a surrogate for biodiesel. The autoignition is predicted using a multistep (8-step) model in order to reduce computational time and make this a viable tool for implementation into engine simulation codes. A detailed reaction mechanism for n-heptane-methyl butanoate blends was used as a basis for validating the multistep model results. The ignition delay trends predicted by the multistep model for the n-heptane-methyl butanoate blends matched well with that of the detailed CHEMKIN model for the majority of conditions tested.
- Authors:
-
- Michigan State University, East Lansing
- ORNL
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Laboratory Directed Research and Development (LDRD) Program
- OSTI Identifier:
- 1007831
- DOE Contract Number:
- DE-AC05-00OR22725
- Resource Type:
- Journal Article
- Journal Name:
- Energy & Fuels
- Additional Journal Information:
- Journal Volume: 25; Journal Issue: 2; Journal ID: ISSN 0887--0624
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 33 ADVANCED PROPULSION SYSTEMS; AUTOIGNITION; CHEMISTRY; DIESEL ENGINES; ENGINES; IGNITION; IMPLEMENTATION; KINETICS; OXIDATION; REACTION KINETICS; SIMULATION; biodiesel; chemical kinetic modeling
Citation Formats
Toulson, Dr Elisa, Allen, Casey M, Miller, Dennis J, McFarlane, Joanna, Schock, Harold, and Lee, Tonghun. Modeling the Auto-Ignition of Biodiesel Blends with a Multi-Step Model. United States: N. p., 2011.
Web. doi:10.1021/ef101238d.
Toulson, Dr Elisa, Allen, Casey M, Miller, Dennis J, McFarlane, Joanna, Schock, Harold, & Lee, Tonghun. Modeling the Auto-Ignition of Biodiesel Blends with a Multi-Step Model. United States. https://doi.org/10.1021/ef101238d
Toulson, Dr Elisa, Allen, Casey M, Miller, Dennis J, McFarlane, Joanna, Schock, Harold, and Lee, Tonghun. 2011.
"Modeling the Auto-Ignition of Biodiesel Blends with a Multi-Step Model". United States. https://doi.org/10.1021/ef101238d.
@article{osti_1007831,
title = {Modeling the Auto-Ignition of Biodiesel Blends with a Multi-Step Model},
author = {Toulson, Dr Elisa and Allen, Casey M and Miller, Dennis J and McFarlane, Joanna and Schock, Harold and Lee, Tonghun},
abstractNote = {There is growing interest in using biodiesel in place of or in blends with petrodiesel in diesel engines; however, biodiesel oxidation chemistry is complicated to directly model and existing surrogate kinetic models are very large, making them computationally expensive. The present study describes a method for predicting the ignition behavior of blends of n-heptane and methyl butanoate, fuels whose blends have been used in the past as a surrogate for biodiesel. The autoignition is predicted using a multistep (8-step) model in order to reduce computational time and make this a viable tool for implementation into engine simulation codes. A detailed reaction mechanism for n-heptane-methyl butanoate blends was used as a basis for validating the multistep model results. The ignition delay trends predicted by the multistep model for the n-heptane-methyl butanoate blends matched well with that of the detailed CHEMKIN model for the majority of conditions tested.},
doi = {10.1021/ef101238d},
url = {https://www.osti.gov/biblio/1007831},
journal = {Energy & Fuels},
issn = {0887--0624},
number = 2,
volume = 25,
place = {United States},
year = {Sat Jan 01 00:00:00 EST 2011},
month = {Sat Jan 01 00:00:00 EST 2011}
}