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research-article

Implementation of Detailed Chemistry Mechanisms in Engine Simulations

[+] Author and Article Information
Prithwish Kundu

Argonne National Laboratory, Lemont, IL, USA
pkundu@ncsu.edu

Muhsin Ameen

Argonne National Laboratory, Lemont, IL, USA
mameen@anl.gov

Chao Xu

University of Connecticut, Storrs, CT, USA
chao.xu@uconn.edu

Umesh Unnikrishnan

Argonne National Laboratory, Lemont, IL, USA
umesh.aero@gatech.edu

Tianfeng Lu

University of Connecticut, Storrs, CT, USA
tianfeng.lu@uconn.edu

Sibendu Som

Argonne National Laboratory, Lemont, IL, USA
ssom@anl.gov

1Corresponding author.

ASME doi:10.1115/1.4041281 History: Received July 17, 2018; Revised August 08, 2018

Abstract

Stiffness of large chemistry mechanisms is a major hurdle towards predictive engine simulations. Detailed mechanisms with thousands of species need to be reduced based on target conditions so that they can be accommodated within the available computational resources. The cost of simulations typically increase super-linearly with the number of species and reactions. This work aims to bring detailed chemistry mechanisms within the realm of engine simulations by coupling the framework of unsteady flamelets (Tabulated Flamelet Model) and fast chemistry solvers. The flamelet solver consists of the traditional operator-splitting scheme with Variable coefficient ODE solver; and a numerical Jacobian. A new framework with LSODES chemistry solver and an analytical Jacobian was implemented. Results show that the computational cost is linearly proportional to the number of species in a given chemistry mechanism and 2-3 orders of magnitude faster than the traditional solvers. This framework was used to generate unsteady flamelet libraries for n-dodecane using a detailed chemistry mechanism with 2,755 species and 11,173 reactions. The Engine Combustion Network experiments are modeled using large eddy simulations (LES) coupled with detailed mechanisms. The model is validated across a range of ambient temperatures. Qualitative results from the simulations were validated against experimental OH and CH2O PLIF data. The study demonstrates that detailed reaction mechanisms (~1000 species) can be used in engine simulations with a linear increase in computation cost with number of species during the tabulation process and a small increase in the 3D simulation cost.

Copyright (c) 2018 by ASME
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