1.8. Current Activities
Ongoing Development and Enhancements
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Ongoing Development and Enhancements
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The primary goal is to enhance GASFLOW-MPI's chemical kinetics modeling capabilities by enabling the direct import of user-specified reaction mechanisms in the widely-used CHEMKIN format. This will greatly simplify the process of incorporating custom or specialized chemical kinetics data, allowing users to leverage the extensive collection of detailed reaction mechanisms available in the scientific literature. The seamless integration of CHEMKIN-compatible inputs will expand the modeling capabilities of GASFLOW-MPI, making it a more versatile and powerful tool for researchers and engineers working in areas related to reactive flow simulations.
GASFLOW-MPI utilizes the TChem toolkit to parse CHEMKIN data files, calculate the right-hand side function and its Jacobian for a system of reaction ordinary differential equations (ODEs) through each fluid cell. The system is then solved using the ODE solvers in PETSc (Portable, Extensible Toolkit for Scientific Computation). PETSc is also used to manage communication between the algebraic structures, such as vectors and matrix, and mesh data structures in parallel computing of the fluid dynamics.
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Rotating detonation combustors (RDCs) offer promising prospects for efficient and clean combustion, with the potential to revolutionize various applications, such as power generation. Through a multidisciplinary approach combining experimental validation and computational simulations, we aim to address key scientific questions related to RDC operation, including combustion characteristics, detonation wave dynamics, turbulence-shock-chemistry interactions and the impact of different fuel compositions. Our research objectives involve developing and refining numerical models for simulating RDCs, improving computational algorithms, and optimizing computational resources to enable accurate and efficient predictions. Additionally, we will explore the optimal operating conditions and design parameters for stable and efficient combustion within RDCs. The expected outcomes include a comprehensive understanding of RDC operation, validated numerical models, and insights into the potential of RDCs for sustainable power generation. The impact of this research extends to the broader field of combustion science, contributing to the development of efficient and sustainable energy solutions.
The GASFLOW-MPI development team is working to enhance the software's turbulence and combustion modeling capabilities to more accurately simulate large-scale jet flames in industrial applications.
Turbulence Model Improvements:
The turbulence models are being evaluated and updated to better capture the complex turbulent flow phenomena observed in large-scale jet flames. This includes:
Evaluating the performance of turbulence models, such as Reynolds-averaged Navier–Stokes Models (RANS) or Large Eddy Simulation (LES) approaches, to improve the prediction of turbulent mixing and flow structures.
Optimizing the numerical implementation and computational efficiency of the turbulence models to enable their practical application to large-scale industrial simulations.
Combustion Model Enhancements:
In parallel, the combustion modeling capabilities in GASFLOW-MPI are being enhanced to better capture the complex chemical kinetics and turbulence-chemistry interactions in large-scale jet flames. Key focus areas include:
Implementing turbulence-chemistry interaction models to better represent the influence of turbulence on reaction rates for practical industrial applications. This includes coupling the Eddy Dissipation Model (EDM) with global finite-rate chemical kinetic models, which can capture the effects of turbulent mixing on the overall combustion process.
Implementing advanced turbulence-chemistry interaction models, such as the Eddy Dissipation Concept (EDC), which can be coupled with detailed chemical kinetics mechanisms. This capability allows for more accurate representation of coupling of turbulence and detailed chemistry.
Improving the integration between the fluid dynamics, convective and radiative heat transfer, and chemical kinetics calculations to better model the multi-physics phenomena observed in large-scale industrial jet flame configurations.
