Predicting solute transport in contaminated sites and addressing key environmental concerns is challenging due to the inherent interactions and coupling between hydrogeological and biogeochemical processes.

Despite recent advances in modelling techniques, solute transport processes face many challenges remaining to be solved due to the complexity of inherent systems and the requirement of simulation and optimization to accelerate decision-making processes. Coupled simulation models are required to resolve multiple interacting factors, including medium heterogeneity, multiphasic flow, heat transfer, biogeochemical reactions and coupled physics. Numerical solutions have gradually received widespread attention in subsurface systems subjected to varying mechanical, thermal, and chemical disturbances.

The aim of this Special Issue is to bring together original research and review articles discussing the algorithm development and application of coupled modeling that are integrated with solute transport in contaminated sites. We are especially interested in submissions associated with numerical models of coupled physical, chemical, and biological processes influencing the behavior and fate of organic and inorganic contaminants in the groundwater environment. We hope that this Special Issue improves our current understanding of the topic to accelerate the decision-making in subsurface environmental management.

Potential topics include but are not limited to the following:

• Environmental geochemistry
• Hydrogeochemistry and hydrogeology
• Contaminants processes, impacts and remediation
• Geochemistry in environmental disasters and sustainability
• Multiphase flow
• Multicomponent and reactive transport
• Stochastic and probabilistic modeling
• Laboratory and field investigations
• Field applications of models, upscaling, and calibration
• Uncertainty quantification and sensitivity analysis