Computational investigation of clean hydrogen production via methane pyrolysis in molten metal baths

Abstract

Global warming, caused by the increased concentration of greenhouse gases in the Earth’s atmosphere, has necessitated the transition to cleaner energy sources. Hydrogen, a versatile and environmentally friendly energy carrier, represents a promising alternative to traditional fossil fuels. This research project explores methane pyrolysis as a sustainable and economical method of hydrogen production, addressing the challenge of carbon dioxide (CO2) emissions. Using advanced numerical simulations, we aim to model the complex multiphase flows and thermal dynamics involved in methane pyrolysis, providing insights to optimize the process for industrial applications. The main objective of this research is to study methane pyrolysis for hydrogen production through detailed numerical simulations. Calculations will be performed using the Basilisk platform, a high-performance computing tool for simulating multiphase flows developed by Stéphane Popinet at Sorbonne University. Basilisk allows for detailed direct simulation of complex flows with numerous droplets and bubbles, providing a robust framework for our research. Initial simulations have focused on the axisymmetric behavior of a single non-reactive bubble and the formation of bubbles from a single orifice. The results of this research are expected to include a comprehensive understanding of the dynamics of methane pyrolysis in liquid metal, optimization strategies to improve hydrogen production efficiency, and information on the thermal and chemical processes affecting bubble behavior and carbon separation. Studying methane pyrolysis is particularly challenging due to the high temperatures involved and the use of opaque liquid metals. These conditions make it difficult to obtain detailed information on the precise mechanisms underlying the pyrolysis process. This is where numerical simulations become extremely valuable. They provide a means to explore and understand the complex interactions and dynamics within the system, offering insights that are difficult to obtain through experimental observations alone. This research aims to contribute to the development of sustainable hydrogen production methods by exploring methane pyrolysis. Through detailed numerical simulations, we seek to optimize the process and address the challenges associated with carbon emissions, thereby supporting the transition to a cleaner energy future.