Multiscale/Multiphysics Simulation and Modeling

Key Research Topics

• Molecular dynamics simulation of fuel chemistry

• Detailed chemical kinetic modeling

• High-fidelity CFD of reacting flows

• Multiscale coupling of chemistry and fluid dynamics

• Simulation–experiment integration for propulsion systems

Advanced propulsion systems involve highly coupled physical and chemical processes occurring over a wide range of spatial and temporal scales. Understanding these complex phenomena requires integrated modeling approaches that bridge molecular-level chemistry with system-level flow dynamics.

At APEL, we develop and apply multiscale and multiphysics simulation frameworks to investigate fuel chemistry, reacting flows, and propulsion system performance. Our research integrates molecular dynamics simulations, detailed chemical kinetic modeling, and high-fidelity computational fluid dynamics (CFD) to capture the interactions between fuel decomposition, fluid dynamics, and combustion processes.

These modeling approaches enable the study of complex phenomena such as fuel pyrolysis, ignition and flame stabilization, spray–flow interactions, and combustion instabilities under realistic propulsion conditions. By connecting molecular-scale reaction mechanisms with macroscopic flow behavior, the simulations provide fundamental insights into the governing physics of advanced propulsion systems.

The simulation results are closely integrated with experimental data obtained from optical diagnostics and combustion experiments. This combined experimental–computational approach improves the reliability of predictive models and contributes to the design and optimization of next-generation propulsion systems for aerospace and energy applications.