Graph Neural Network for domain segmentation to predict regions of non-ideal mixing in two-dimensional baffle flow systems

This paper presents a novel approach to address computational challenges in predicting flow features by employing a Graph Neural Network (GNN), which is proficient in predicting flow domain values. Traditional Computational Fluid Dynamics (CFD) simulations, although effective, often require substantial computational resources and time, limiting their applicability in time-sensitive scenarios and optimization studies necessitating extensive case studies. The main objective was to evaluate the feasibility of employing node classification on a graph generated from a 2D baffle flow system to segment the domain based on relative fluid age. A second objective was to compare the computational time required for CFD simulations with the inference time of the network to quantify the efficiency gains achieved by utilizing the network. Results demonstrate the potential of utilizing graph convolutional networks for domain segmentation to predict regions of holdup and bypass. The GNN achieved 97% and 92% accuracy in predicting recirculation regions in single and double baffle cases, particularly excelling in high Reynolds number scenarios. Importantly, the proposed GNN-based approach reduces computation time by over 2100%, showcasing significant efficiency gains. Results here highlight the promise of employing graph convolutional networks for flow feature prediction, offering substantial computational efficiency improvements over traditional CFD simulations.