Reacting Flows: Computational Methods

Presentations

• Accelerating Exascale Reacting Flow Simulations with a Symbolic Analytic Jacobian formulation for QSSA Mechanisms

  ORAL

  Nov. 19, 2023, 4:35 PM – Nov. 19, 2023, 4:48 PM

  Presenters

  • Nicholas T Wimer

    National Renewable Energy Laboratory

  Authors

  • Nicholas T Wimer

    National Renewable Energy Laboratory

  • Malik Hassanaly

    National Renewable Energy Laboratory

  • Lucas Esclapez

    National Renewable Energy Laboratory

  • Anne Felden

    Lawrence Berkeley National Lab

  • Julia A Ream

    Florida State University

  • Marc T Henry de Frahan

    National Renewable Energy Laboratory

  • Jon Rood

    National Renewable Energy Laboratory

  • Marc Day

    National Renewable Energy Laboratory

  View abstract →

• An implementation of heterogeneous chemistry into AMReX-based combustion solvers

  ORAL

  Nov. 19, 2023, 4:48 PM – Nov. 19, 2023, 5:01 PM

  Presenters

  • Anirudh Jonnalagadda

    Indian Institute of Science Bangalore

  Authors

  • Anirudh Jonnalagadda

    Indian Institute of Science Bangalore

  • Shashank Tiwari

    Shell India Markets Pvt. Ltd

  • Konduri Aditya

    Indian Institute of Science Bangalore

  View abstract →

• Hybrid parallelization of In-Situ Adaptive Manifolds for computationally efficient turbulent combustion simulations

  ORAL

  Nov. 19, 2023, 5:01 PM – Nov. 19, 2023, 5:14 PM

  Presenters

  • Stephen T Fush

    Princeton University

  Authors

  • Stephen T Fush

    Princeton University

  • Israel J Bonilla

    Princeton University

  • Michael E Mueller

    Princeton University

  View abstract →

• Influence of real gas effects on chemical kinetics in oxycombustion in supercritical carbon dioxide

  ORAL

  Nov. 19, 2023, 5:14 PM – Nov. 19, 2023, 5:27 PM

  Presenters

  • Mohammad J Rahimi

    National Renewable Energy Laboratory

  Authors

  • Mohammad J Rahimi

    National Renewable Energy Laboratory

  • Marc T Henry de Frahan

    National Renewable Energy Laboratory

  • Olga Doronina

    National Renewable Energy Laboratory

  • Shashank Yellapantula

    National Renewable Energy Laboratory

  • Ian Cormier

    8 Rivers

  • Marc Day

    National Renewable Energy Laboratory

  • Michael J Martin

    National Renewable Energy Laboratory

  • Bruce A Perry

    National Renewable Energy Laboratory

  View abstract →

• Adaptive time step control using reinforcement learning for stiff chemical kinetic systems

  ORAL

  Nov. 19, 2023, 5:27 PM – Nov. 19, 2023, 5:40 PM

  Presenters

  • Vijayamanikandan Vijayarangan

    King Abdullah University of Science and Technology

  Authors

  • Vijayamanikandan Vijayarangan

    King Abdullah University of Science and Technology

  • Harshavardhana A Uranakara

    King Abdullah University of Science and Technology

  • Francisco E Hernandez Perez

    King Abdullah University of Science and Technology

  • Hong G Im

    King Abdullah University of Science and Technology

  View abstract →

• Matrix Product State Simulation of Reactive Flows

  ORAL

  Nov. 19, 2023, 5:40 PM – Nov. 19, 2023, 5:53 PM

  Presenters

  • Robert Pinkston

    University of Pittsburgh

  Authors

  • Robert Pinkston

    University of Pittsburgh

  • Peyman Givi

    University of Pittsburgh

  • Juan José Mendoza Arenas

    University of Pittsburgh

  • Nikita Gourianov

    University of Pittsburgh

  • Dieter Jaksch

    University of Oxford, University of Hamburg

  View abstract →

• Numerical methodology for simulating premixed flame propagation within closed vessels

  ORAL

  Nov. 19, 2023, 5:53 PM – Nov. 19, 2023, 6:06 PM

  Presenters

  • Gautham Krishnan

    University of Illinois, Urbana-Champaign

  Authors

  • Gautham Krishnan

    University of Illinois, Urbana-Champaign

  • Hang Yu

    University of Southern California

  • Carlos Pantano

    Univ of Southern California

  • Moshe Matalon

    University of Illinois at Urbana-Champaign

  View abstract →

• Implementation of Complex Free Radical Polymerization Chemistry into a Plant-Scale Computational Fluid Dynamics Reactor Model

  ORAL

  Nov. 19, 2023, 6:06 PM – Nov. 19, 2023, 6:19 PM

  Publication: Yoder, E., Strasser, W., and Lin, V., "Verifying the Implementation of Complex Polymerization Chemistry into a Rigorous Autoclave Low-Density Polyethylene Reactor CFD Model for Calculating the Molecular Weight Distribution," [planned paper].

  Presenters

  • Elijah P Yoder

    Liberty University

  Authors

  • Elijah P Yoder

    Liberty University

  • Wayne Strasser

    Liberty University

  • Victor Lin

    Westlake Chemical

  View abstract →