A model to predict the effects of soil structure on denitrification and N 2O emission

Abstract

► Dual porous model of soil that closely reproduces experimental water retention. ► Simplified to critical percolation path with hotspots positioned 10 μm or 100 μm away. ► Denitrification and nitrification assumed to occur in micro-porous hot-spot zones. ► A priori diffusion and kinetics reproduce experimental CO 2 , N 2 O and N 2 emissions. ► Model shows sensitivity of O 2 thresholds, rate coefficients and hotspot positions. A model of the void space of soil is presented, and used for the a priori biophysical simulation of denitrification. The model comprises a single critical percolation channel through a 5 cm stack of four unit cells of a dual-porous void structure. Together, the micro- and macro-porous structures closely replicate the full water retention characteristic of a sandy clay loam soil from the Woburn Experimental Farm operated by Rothamsted Research, UK. Between 1 and 10 micro-porous hot-spot zones of biological activity were positioned at equally spaced distances within 5 cm from the surface, and at either 10 μm or 100 μm from the critical percolation channel. Nitrification and denitrification reactions within the hotspots were assumed to follow Michaelis–Menten kinetics, with estimated values of rate coefficients. Estimates were also made of the threshold values of oxygen concentration below which the anaerobic processes would commence. The pore network was fully saturated following addition of an aqueous ‘amendment’ of nitrate and glucose which started the reactions, and which mirrored an established laboratory protocol. Diffusion coefficients for Fickian and Crank-Nicolson calculations were taken from the literature, and were corrected for the tortuosity of the micro-porosity. The model was used to show the amount of carbon dioxide, nitrous oxide and molecular nitrogen emerging from the simulated soil with time. Adjustment of the rate coefficient and oxygen threshold concentrations, within the context of a sensitivity analysis, gave emission curves in good agreement with previous experimental measurements. Positioning of the hot-spot zones away from the critical percolation path slowed the increase and decline in emission of the gases. The model and its parameters can now be used for modelling the effect of soil compaction and saturation on the emission of nitrous oxide.