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Heterogeneous Ammonia Storage Model for NH3–SCR Modeling
- Gong, Jian, Narayanaswamy, Kushal, Rutland, Christopher J.
- Industrial & Engineering Chemistry Research 2016 v.55 no.20 pp. 5874-5884
- ammonia, engineering, inventories, models, nitric oxide, oxidation, temperature
- Single- and dual-site ammonia storage models are initially developed and calibrated from ammonia TPD experiments. The dual-site model gives better agreement with the experimental measurements, but neither of these models is able to adequately represent the observed ammonia storage trends over a wide range of temperatures. An alternative heterogeneous single-site model considering the heterogeneity of ammonia storage sites is proposed that more accurately predicts ammonia storage in the temperature window of 150 °C–400 °C. When the heterogeneous storage site model is combined with kinetics for NH₃ and NO oxidation for simulating standard SCR, the NH₃ and DeNOₓ trends as well as the NH₃ inventories during reaction conditions reported for lab reactor studies are replicated.