Water is a key solvent, fundamental to supporting life on earth. It is equally important in many industrial processes, particularly within agricultural and pharmaceutical industries, which are major drivers of the global economy. The results of water contamination by common activity in these industries is well known and EU Water Quality Directives and Associated Regulations mandate that NH4 + concentrations in effluent streams should not exceed 0.3 mg L-1, this has put immense pressure on organisations and individuals operating in these industries. As the environmental and financial costs associated with water purification begin to mount, there is a great need for novel processes and materials (particularly renewable) to transform the industry. Current solutions have evolved from combating toxic sludge to the use of membrane technology, but it is well known that the production of these membrane technologies creates a large environmental footprint. Zeolites could provide an answer; their pore size and chemistry enable efficient removal of aqueous based cations via simple ion exchange processes. Herein, we demonstrate efficient removal of NH4 + via both static and dynamic methodology for industrial application. Molecular modelling was used to determine the cation.framework interactions which will enable customisation and design of superior sorbents for NH4 + capture in wastewater.