Implementation of Detailed Chemistry Mechanisms in Engine Simulations

[+] Author and Article Information
Prithwish Kundu

Argonne National Laboratory, Lemont, IL, USA

Muhsin Ameen

Argonne National Laboratory, Lemont, IL, USA

Chao Xu

University of Connecticut, Storrs, CT, USA

Umesh Unnikrishnan

Argonne National Laboratory, Lemont, IL, USA

Tianfeng Lu

University of Connecticut, Storrs, CT, USA

Sibendu Som

Argonne National Laboratory, Lemont, IL, USA

1Corresponding author.

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


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
Your Session has timed out. Please sign back in to continue.





Some tools below are only available to our subscribers or users with an online account.

Related Content

Customize your page view by dragging and repositioning the boxes below.

Related Journal Articles
Related eBook Content
Topic Collections

Sorry! You do not have access to this content. For assistance or to subscribe, please contact us:

  • TELEPHONE: 1-800-843-2763 (Toll-free in the USA)
  • EMAIL: asmedigitalcollection@asme.org
Sign In