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Volume 38, Issue 4
Higher Order Accurate Bounds Preserving Time-Implicit Discretizations for the Chemically Reactive Euler Equations

Fengna Yan, J. J. W. Van der Vegt, Yinhua Xia & Yan Xu

Commun. Comput. Phys., 38 (2025), pp. 1017-1052.

Published online: 2025-09

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  • Abstract

We construct higher order accurate bounds preserving time-implicit Discontinuous Galerkin (DG) discretizations for the reactive Euler equations modelling multispecies and multireaction chemically reactive flows. In numerical discretizations of chemically reactive flows, the time step can be significantly limited because of the large difference between the fluid dynamics time scales and the reaction time scales. In addition, the density and pressure should be nonnegative and the mass fractions between zero and one, which imposes constraints on the numerical solution that must be satisfied to obtain physically reliable solutions. We address these issues using the following steps. Firstly, we develop the Karush-Kuhn-Tucker (KKT) limiter for the chemically reactive Euler equations, which imposes bounds on the numerical solution using Lagrange multipliers, and solve the resulting KKT mixed complementarity problem using a semi-smooth Newton method. The disparity in time scales is addressed using a fractional step method, separating the convection and reaction steps, and the use of higher order accurate Diagonally Implicit Runge-Kutta (DIRK) methods. Finally, Harten’s subcell resolution technique is used to deal with stiff source terms in chemically reactive flows. Numerical results are shown to demonstrate that the bounds preserving KKT-DIRK-DG discretizations are higher order accurate for smooth solutions and able to capture complicated stiff multispecies and multireaction flows with discontinuities.

  • AMS Subject Headings

65M60, 35L60, 35L65, 65M12

  • Copyright

COPYRIGHT: © Global Science Press

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@Article{CiCP-38-1017, author = {Yan , FengnaVegt , J. J. W. Van derXia , Yinhua and Xu , Yan}, title = {Higher Order Accurate Bounds Preserving Time-Implicit Discretizations for the Chemically Reactive Euler Equations}, journal = {Communications in Computational Physics}, year = {2025}, volume = {38}, number = {4}, pages = {1017--1052}, abstract = {

We construct higher order accurate bounds preserving time-implicit Discontinuous Galerkin (DG) discretizations for the reactive Euler equations modelling multispecies and multireaction chemically reactive flows. In numerical discretizations of chemically reactive flows, the time step can be significantly limited because of the large difference between the fluid dynamics time scales and the reaction time scales. In addition, the density and pressure should be nonnegative and the mass fractions between zero and one, which imposes constraints on the numerical solution that must be satisfied to obtain physically reliable solutions. We address these issues using the following steps. Firstly, we develop the Karush-Kuhn-Tucker (KKT) limiter for the chemically reactive Euler equations, which imposes bounds on the numerical solution using Lagrange multipliers, and solve the resulting KKT mixed complementarity problem using a semi-smooth Newton method. The disparity in time scales is addressed using a fractional step method, separating the convection and reaction steps, and the use of higher order accurate Diagonally Implicit Runge-Kutta (DIRK) methods. Finally, Harten’s subcell resolution technique is used to deal with stiff source terms in chemically reactive flows. Numerical results are shown to demonstrate that the bounds preserving KKT-DIRK-DG discretizations are higher order accurate for smooth solutions and able to capture complicated stiff multispecies and multireaction flows with discontinuities.

}, issn = {1991-7120}, doi = {https://doi.org/10.4208/cicp.OA-2023-0115}, url = {http://global-sci.org/intro/article_detail/cicp/24352.html} }
TY - JOUR T1 - Higher Order Accurate Bounds Preserving Time-Implicit Discretizations for the Chemically Reactive Euler Equations AU - Yan , Fengna AU - Vegt , J. J. W. Van der AU - Xia , Yinhua AU - Xu , Yan JO - Communications in Computational Physics VL - 4 SP - 1017 EP - 1052 PY - 2025 DA - 2025/09 SN - 38 DO - http://doi.org/10.4208/cicp.OA-2023-0115 UR - https://global-sci.org/intro/article_detail/cicp/24352.html KW - Bounds preserving, DG discretizations, chemically reactive Euler equations, DIRK methods, stiff source terms. AB -

We construct higher order accurate bounds preserving time-implicit Discontinuous Galerkin (DG) discretizations for the reactive Euler equations modelling multispecies and multireaction chemically reactive flows. In numerical discretizations of chemically reactive flows, the time step can be significantly limited because of the large difference between the fluid dynamics time scales and the reaction time scales. In addition, the density and pressure should be nonnegative and the mass fractions between zero and one, which imposes constraints on the numerical solution that must be satisfied to obtain physically reliable solutions. We address these issues using the following steps. Firstly, we develop the Karush-Kuhn-Tucker (KKT) limiter for the chemically reactive Euler equations, which imposes bounds on the numerical solution using Lagrange multipliers, and solve the resulting KKT mixed complementarity problem using a semi-smooth Newton method. The disparity in time scales is addressed using a fractional step method, separating the convection and reaction steps, and the use of higher order accurate Diagonally Implicit Runge-Kutta (DIRK) methods. Finally, Harten’s subcell resolution technique is used to deal with stiff source terms in chemically reactive flows. Numerical results are shown to demonstrate that the bounds preserving KKT-DIRK-DG discretizations are higher order accurate for smooth solutions and able to capture complicated stiff multispecies and multireaction flows with discontinuities.

Yan , FengnaVegt , J. J. W. Van derXia , Yinhua and Xu , Yan. (2025). Higher Order Accurate Bounds Preserving Time-Implicit Discretizations for the Chemically Reactive Euler Equations. Communications in Computational Physics. 38 (4). 1017-1052. doi:10.4208/cicp.OA-2023-0115
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