Both a mechanistic model, which accounts for ammonia, nitrate, and ammonium nitrate storage, and a global model, which only accounts for ammonia storage and no nitrates, were calibrated to the same data collected across a Cu-CHA catalyst. Once calibrated, the models were directly applied to simulate various driving cycles (cold WHTC, hot WHTC, FTP, NRTC, ETC, and WNTE), with different catalyst layouts (i.e., washcoat loading and cpsi) as part of the model validation process.

It was demonstrated that the mechanistic model provides a notable improvement in the prediction of the NO_x conversions for colder cycles (i.e., cold WHTC, hot WHTC, and FTP) due to its inclusion of nitrates and ammonium nitrate. The quality of prediction of the hotter cycles (i.e., NRTC, ETC, and WNTE) was close to the same for both models, since no ammonium nitrate accumulates at these higher temperatures. Despite the additional reactions and surface species included in the mechanistic model, no significant increase in simulation time is observed compared to the global model.

Finally, the mechanistic model is applied to calibrate a simple NH₃ dosing strategy. The dosing strategy is compared to a constant NH₃/NO_x approach, where it was shown through simulations, and confirmed experimentally, that the dosing approach allows for an increase in NO_x conversion. Overall, this demonstrated that the model accurately predicts the increase in NO_x conversion and that the model is a valuable tool to establish the catalyst’s true potential during driving cycles.

既考虑了氨，硝酸盐和硝酸铵存储的机械模型，也考虑了氨，硝酸盐和硝酸铵的存储的全局模型，都针对通过Cu-CHA催化剂收集的相同数据进行了校准。校准后，将模型直接应用于模拟各种行驶周期（冷WHTC，热WHTC，FTP，NRTC，ETC和WNTE），并将不同的催化剂布局（即修补基面涂料载量和cpsi）作为模型验证过程的一部分。

它证实了机械模型提供了NO的预测的显着改善_X较冷的周期的转换（即，冷WHTC，热WHTC，和FTP），由于其夹杂物硝酸盐和硝酸铵。两种模型对较热周期（即NRTC，ETC和WNTE）的预测质量接近相同，因为在这些较高的温度下不会累积硝酸铵。尽管机械模型中包括其他反应和表面种类，但是与全局模型相比，仿真时间没有明显增加。

最后，将力学模型用于校准简单的NH ₃计量策略。将配量策略与恒定NH ₃ / NO _x方法进行比较，该方法已通过模拟显示并通过实验得到证实，该配量方法可增加NO _x的转化率。总的来说，这表明，该模型准确地预测NO增加_X转换和该模型运行周期过程中建立催化剂的真正潜力的宝贵工具。