Search results for "Ammonia production"
showing 4 items of 4 documents
Ammonia Synthesis: State of the Bellwether Reaction
2013
Catalytic ammonia synthesis has been judged to be one of mankind's greatest scientific achievements during the twentieth century. The socioeconomic implications of producing ammonia industrially have been a strong driving force, and this development has spurred a range of new discoveries within physics, chemistry, and chemical engineering. In this chapter, we describe how it has been possible in recent years to provide a full understanding of the catalytic ammonia synthesis reaction at the atomic level through the combined use of experiments and quantum mechanical electronic structure calculations, thus clearly showing many of the reasons why ammonia synthesis has been, and still is, the be…
Molecular ND Band Spectroscopy in the Divertor Region of Nitrogen Seeded JET Discharges
2018
In this contribution we present OES measurements in the JET tokamak of the deuterated NH (ND) radical and the correlation between results of those experiments and measurement of ammonia production. The observation region covers most of the divertor and its outer throat. Measurements are performed in different magnetic configurations. The results include temporal and spatial dependence of the molecular emission intensity and study of the emission band shape (vibrational and rotational temperatures) during different JET pulses, with or without nitrogen seeding. Results are a step towards the understanding of nitrogen-containing molecule creation and destruction in the divertor plasma. For com…
Evolution of nitrogen concentration and ammonia production in N 2 -seeded H-mode discharges at ASDEX Upgrade
2019
Ammonia formation was studied in a series of dedicated nitrogen seeded H-mode discharges at ASDEX Upgrade. The evolution of ammonia formation was investigated with a reference phase before the seeding, and a long, stable flat-top nitrogen-seeded phase. It was monitored with divertor spectroscopy and analysis of the exhaust gas. The amount of the detected ammonia increased continuously over the course of five discharges with the same nitrogen seeding rate. The same trend was observed in the nitrogen density in the core plasma, as measured by charge exchange recombination spectroscopy and other signals, linked to the effects of nitrogen seeding. The results show that the rate of ammonia forma…
Coadsorption of NRR and HER Intermediates Determines the Performance of Ru-N4 toward Electrocatalytic N2 Reduction
2021
Efficiency of the electrochemical N2 reduction reaction (NRR) to ammonia is seriously limited by the competing hydrogen evolution reaction (HER) but our current atomic-scale insight on the factors controlling HER/NRR competition are unknown. Herein we unveil the elementary mechanism, thermodynamics, and kinetics determining the HER/NRR selectivity on the state-of-the-art NRR electrocatalyst, Ru-N4 using constant potential density functional theory calculations (DFT). The calculations show that NRR and HER intermediates coadsorb on the catalyst where HER is greatly suppressed by the NRR intermediates. The first reaction step leading to either *NNH or *H determines the selectivity towards NRR…