Modeling plasma-driven nitrogen fixation for sustainable fertilizer production
Qinghao Shen defended his PhD thesis at the Department of Applied Physics and Science Education on October 29.
Qinghao Shen has developed advanced computational models to better understand and optimize plasma-assisted nitrogen fixation (NF), a promising technology for producing nitrogen fertilizers without carbon emissions. His work provides critical insights into how vibrational energy transfer and plasma dynamics influence the efficiency of this process, paving the way for more sustainable industrial applications.
Why plasma-based nitrogen fixation matters
The conventional Haber–Bosch process, responsible for most of the world’s fertilizer production, is highly energy-intensive and contributes significantly to global CO₂ emissions. Plasma-based NF offers an alternative by using renewable electricity to synthesize nitrogen compounds without carbon emissions. However, current implementations face prohibitively high energy costs, limiting their industrial viability.
Shen’s research addresses this challenge by developing multi-temperature plasma models that reveal how energy flows during NOx formation in microwave-driven plasmas. These models help identify strategies to reduce energy consumption and improve reactor design.
Vibrational activation: a more efficient pathway
One key finding is that vibrational excitation of nitrogen molecules (N₂) provides a more energy-efficient route for NOx production compared to purely thermal mechanisms. Shen introduced an enhanced method for calculating vibrationally promoted reaction rates, the generalized Fridman–Macheret (GFM) approach, which combines high accuracy with computational efficiency. This method was validated against experimental trends and applied to simulate complex plasma conditions.
Capturing plasma dynamics with advanced models
Building on this foundation, Shen developed one-dimensional and quasi-1.5D models to study NOx formation under different pressures and flow conditions. These models incorporate electron kinetics, vibrational relaxation processes, and radial transport, offering a detailed picture of plasma behavior during both discharge and afterglow phases.
The simulations reveal that non-thermal effects in the discharge region significantly enhance NO formation, but these effects decay rapidly in the afterglow. Turbulent diffusion plays a dual role, helping transport NO toward cooler regions while improving heat transfer, suggesting that optimized turbulence and sustained non-equilibrium conditions could boost efficiency.
Toward energy-efficient plasma reactors
By combining theoretical innovation with computational modeling, Shen’s work provides a toolkit for designing next-generation plasma reactors that minimize energy consumption while maximizing NOx yield. These advances bring plasma-based nitrogen fixation closer to becoming a viable, carbon-free alternative to traditional fertilizer production.
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Supervisors
Richard van de Sande