An unstructured grid is a powerful data structure for a proper depiction of various geological features such as faults and pinch-outs and for groundwater simulation in a complex aquifer system. This study presents a mesh generation methodology based on 2.5D centroidal Voronoi tessellations (CVTs), which provides a great flexibility in specifying grid connections in 3D, matching irregular geometries, and adding high levels of refinement in areas of interest. Lloyd relaxation approximation is introduced to effectively guarantee the generation of centroidal Voronoi grids. A curve-fitting Voronoi gridding approach is developed to construct Voronoi cell edges conforming to intricated geological traces in the horizontal 2D projection with unstructured vertical discretization. A controlled refinement in spatial grid resolution has been demonstrated to prevent adverse impacts on groundwater flow simulations. The methodology is applied to the Southern Hills aquifer system in the Capital Area of Louisiana, USA. Significant groundwater depletion has occurred due to continuous and excessive withdrawals over decades for public supplies and industries. The Baton Rouge fault and the Denham-Springs Scotlandville fault are leaky barriers and have a significant influence on groundwater flow. A curve-fitting centroidal Voronoi grid is developed to simulate the effects of the two faults as leaky barriers. CVT-based high-fidelity unstructured multi-model groundwater modeling is conducted using MODFLOW 6 to allow more flexibility in model design. Complex groundwater flow in the Southern Hills aquifer system was revealed through the centroidal Voronoi unstructured grid.
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