Simulation and Prediction of Soil–Groundwater Pollution: Current Status and Challenges

Soil–groundwater pollution is a complex environmental phenomenon formed by the coupling of multiple processes. Due to the concealment of pollution, the persistence of harm, and the complexity of the system, soil–groundwater pollution has become a major environmental issue of increasing concern. The simulation and prediction of different types of models, different pollutants, and different scales in soil and groundwater have always been the research hotspots for pollution prevention and control. Starting from the mathematical mechanism of pollutant transport in soil and groundwater, this study reviews the method models represented by empirical models, analytical models, statistical models, numerical models, and machine learning, and expounds the characteristics and applications of the various representative models. Our Web of Science analysis (2015–2025) identifies 3425 relevant studies on soil–groundwater pollution models. Statistical models dominated (n = 1155), followed by numerical models (n = 878) and machine learning (n = 703). Soil pollution studies (n = 1919) outnumber groundwater research (n = 1506), with statistical models being most prevalent for soil and equally common as numerical models for groundwater. Then this study summarizes the research status of soil–groundwater pollution simulation and prediction at the level of multi-scale numerical simulation and the pollutant transport mechanism. It also discusses the development trend of artificial intelligence innovation applications such as machine learning in soil–groundwater pollution, looks forward to the challenges and measures to cope with them, and proposes to systematically respond to core challenges in soil and groundwater pollution simulation and remediation through new technology development, multi-scale and multi-interface coupling, intelligent optimization algorithms, and pollution control collaborative optimization methods for pollution management, so as to provide references for the future simulation, prediction, and remediation of soil–groundwater pollution.