Rational design of a methanation reactor by neutron imaging

The reaction conditions in industrial scale chemical reactors can differ markedly from the ones in a small laboratory scale reactor. The differences are both conceptual and practical, and can at best be analysed by studying a full reactor, which requires an analytical method capable of quantifying the distribution of reactants and products in a running reactor. For this, we introduce non-destructive operando neutron imaging in combination with modelling. As a representative reaction, we studied the hydrogenation of carbon dioxide to methane selected due to the large neutron cross-section of hydrogen and hydrogen-containing species. The integration of the measurement setup/reactor into the neutron beamline enables the temporally resolved measurement of the distribution of adsorbed water on the catalyst under operating conditions (p, T). The resulting quantitatively determined partial pressure of the water thus indirectly enables the spatial and temporal conversion of the processes. The knowledge gained from this experimental approach, combined with modelling, allows the design of reactor dimensions under optimized reaction conditions. The good agreement between simulation and experimental neutron imaging warrants the method as a reliable instrument for reactor characterization and design, with the prospect of its application on reactors on the industrial scale.

April 30, 2025

Decentralized ammonia production via electric Haber–Bosch (Haber–Bosch 2.0) could support shipping, chemical manufacturing, and local fertilizer supply chains. Unlike conventional Haber–Bosch systems, Haber–Bosch 2.0 technologies operate at lower pressures (∼30–60 bar) and temperatures (∼400 °C), enabling smaller, modular ammonia systems powered by low-carbon electricity. However, its economic viability and environmental performance under diverse conditions remain unclear. Here, we apply techno-economic and environmental life cycle assessment using a novel, open-source framework to optimally design ∼13 000 grid-connected, hybrid, and off-grid electric Haber–Bosch configurations worldwide. Our results demonstrate that decentralized ammonia production costs are between €740–4100 tNH3−1, which is substantially higher compared to centralized ammonia production (∼300 tNH3−1 historically with recent spikes up to ∼€800 tNH3−1). Hybrid configurations exhibit the lowest costs (€740–2090 tNH3−1), particularly in regions with low grid electricity prices, low capital costs, and/or abundant renewables. However, their GHG emissions vary widely depending on the GHG intensity of the local grid. Off-grid systems exhibit the lowest life cycle GHG emissions (on average 0.70 tCO2-eq. tNH3−1), but demonstrate high costs (more than €1100 tNH3−1), driven by oversized renewables and energy storage media to enable continuous Haber–Bosch operation. Cost parity may be achieved by 2050 through technology learning, especially for hybrid systems (€325 tNH3−1). To realize this potential and secure low-carbon fertilizer supply, policymakers should; (1) accelerate the decarbonization of national power grids, (2) provide early-stage deployment support for flexible, electric Haber–Bosch technologies, and (3) establish clear certification standards for low-carbon ammonia.

Rational design of a methanation reactor by neutron imaging

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Haber–Bosch 2.0 for low-carbon ammonia production: a global techno-economic and environmental assessment

Strong interest in FOCA Aviation and Climate Funding Programme