Tunneling in structurally complex, tectonically active regions such as southwest China poses significant environmental risks to groundwater, especially in heterogeneous karst fault systems where conventional prediction methods often fail. This study innovatively coupled MODFLOW’s STREAM package (for simulating karst conduit networks) and DRAIN package (for tunnel inflow prediction) within a 3D groundwater model to assess hydrogeological impacts in complex mountainous terrain. The simulations show that an uncased tunnel lining causes significant groundwater changes under natural conditions, with predicted inflows reaching 34,736 m³/d. Conventional cement grouting (permeability: 1 × 10⁻⁵ cm/s; thickness: 10 m) mitigates the effects considerably and reduces the inflows in the tunnel sections by 27–97%. Microfine cement grouting (5 × 10⁻⁶ cm/s; 10 m thickness) further improves performance by achieving a 49–98% reduction in inflows and limiting the reduction in spring discharge to ≤13.28%. These results establish a valid theoretical framework for predicting groundwater impacts in heterogeneous terrain and demonstrate that targeted seepage control—particularly grouting with microfine cement—effectively protects groundwater-dependent ecosystems during infrastructure development.

To address the hydrogeological parameters of polluted sites at the site scale, a series of physical and numerical simulation experiments were conducted to investigate seepage and solute transport under the influence of various physical fields. These experiments utilized an experimental platform designed for the acquisition of pollutant transport and transformation data, which incorporated three-dimensional multifield coupling, alongside a numerical model that also accounted for multiphysical field interactions. The numerical simulations employed Darcy’s law, the heat conduction equation, and convective–dispersive equations to analyze the seepage field, heat transfer, and solute transport processes, respectively. The findings from both physical and numerical tests indicate that variations in groundwater temperature and solute concentration significantly influence solute transport dynamics. Specifically, an increase in groundwater temperature correlates with an accelerated migration rate of sodium chloride (NaCl) solute, resulting in a reduced time for the solute to achieve equivalent concentrations in observation wells. Conversely, when the concentration of NaCl in groundwater rises, the temperature of the groundwater also increases when the solute reaches the same concentration in the observation wells. This phenomenon can be attributed to the decrease in the specific heat capacity of groundwater with higher solute concentrations. Moreover, as the concentration of sodium chloride in groundwater increases, the rate of temperature elevation in the groundwater accelerates due to a decrease in specific heat capacity associated with higher solute concentrations, thereby requiring less thermal energy for the groundwater to attain the same temperature. The results further reveal that the hydraulic conductivity of the target aquifer, specifically the pulverized clay layer, ranges from 6.72 to 8.52 × 10⁻⁶ m/s, with an effective thermal conductivity of 2.2 W/(m·K), a longitudinal dispersion of 0.554 m, and a transverse dispersion of 0.05 m.