Real-time temperature measurement in stochastic rotation dynamics.

Area of Science:

• Multiscale modeling
• Computational physics
• Chemical engineering

Background:

• Many physical and chemical processes are temperature-sensitive.
• Connecting macroscopic and mesoscopic simulations is crucial for understanding these systems.
• Stochastic Rotation Dynamics (SRD) is a mesoscale method suitable for hydrodynamic flows with thermal fluctuations.

Purpose of the Study:

• To develop a method for real-time local temperature measurement within SRD simulations.
• To enable the coupling of hydrodynamic flows and thermal fluctuations with temperature-dependent surface mechanisms.
• To facilitate mesoscale simulations of complex chemical reactions.

Main Methods:

• Developed and validated a real-time local temperature measurement technique for SRD.
• Employed ensemble averaging for temperature measurement in dynamic environments.
• Validated the method through heat diffusion, wall heating, and temperature-programmed desorption simulations.

Main Results:

• Successfully demonstrated real-time local temperature measurement in SRD.
• Validated the accuracy of the method across various thermal scenarios.
• Applied the method to a model flow reactor with heterogeneous catalysis.

Conclusions:

• The developed method accurately measures local temperature in SRD, crucial for thermal-dependent processes.
• This technique allows for the integration of detailed surface chemistry with mesoscale fluid dynamics.
• Opens avenues for advanced simulations of catalytic reactors and other complex systems.