Tailings which are by-product of the extraction of various metals (copper, gold, silver, molybdenum, etc.) are often stored in so called Tailings Storage Facilities (TSF), where they are deposited as a soil-water mixture by spigotting. In many cases the water discharged together with tailings to the TSF is rich in salts and other chemical compounds imposing negative pressure to the groundwater environment. Even in the case of total or partial lining of such facilities and well-developed drainage systems to control leaching, some portion of contaminated water often seeps either through the surrounding dams or the bed into adjacent groundwater bodies. Numerical models can be very helpful tools to assess the extent of the contamination and particularly to predict its potential development in the future. This paper and the companion one describe such a numerical model developed for Żelazny Most Tailings Storage Facility (south-west Poland), one of the world’s largest tailings sites. In the first part general information about the facility is provided and a 3D hydrogeological numerical model of the structure is described. Groundwater flow pattern near the facility obtained from numerical simulations is confronted with the measurements from a comprehensively developed monitoring system. Part II will be focused on the modelling of chloride transport in groundwater.