Learning reaction-transport coupling from thermal waves

Area of Science:

• Multiphysics
• Chemical Engineering
• Thermodynamics

Background:

• Thermal waves are common phenomena in nature and engineering.
• Current diagnostic tools struggle to differentiate between reaction and transport roles in thermal waves.
• This limitation hinders a complete understanding of thermal wave physics and predictive capabilities.

Purpose of the Study:

• To develop a method for learning thermal properties and chemical kinetics directly from thermal wave dynamics.
• To enable the determination of unobserved reaction rates without extensive state variable measurements.
• To enhance the comprehension of reaction-transport coupling in thermal wave phenomena.

Main Methods:

• Utilized partial differential equation-constrained optimization to analyze thermal wave dynamics.
• Applied the method to both steady planar and unsteady pulsating wave examples.
• Reconstructed wave dynamics using inferred thermal properties and chemical kinetics.

Main Results:

• Successfully learned thermal properties and chemical kinetics from observed thermal wave dynamics.
• Demonstrated the ability to determine reaction rates without a full set of state variable measurements.
• Reconstructed wave dynamics accurately using the inferred parameters.

Conclusions:

• The developed method provides a powerful tool for diagnosing thermal wave behavior.
• It enables a deeper understanding of the interplay between reaction and transport processes.
• This approach advances the prediction and control of thermal wave dynamics in various applications.