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Internal combustion engines (ICEs) exhaust emissions, particularly nitrogen oxides (NOx), have become a growing environmental and health concern. The biggest challenge for contemporary ICE industry is the development of clean ICEs, and the use of advanced design tools like Computational Fluid Dynamics (CFD) simulation is paramount to achieve this goal. In particular, the development of aftertreatment systems like Selective Catalyst Reduction (SCR) is a key step to reduce NOx emissions, and accurate and efficient CFD models are essential for its design and optimization. In this work, we propose a novel 3D-CFD methodology, which uses a Machine Learning (ML) approach as a surrogate model for the SCR catalyst chemistry, which aims to enhance accuracy of the simulations with a moderate computational cost. The ML approach is trained on a dataset generated from a set of 1D-CFD simulations of a single channel of an SCR catalyst.