A Numerical Multi-Component Reactive Model for Pyrite Oxidation and Pollutant Transportation in a Pyritic, Carbonate-Rich Coal Waste Pile in Northern Iran

Abstract

A one-dimensional numerical finite volume model is presented to simulate pyrite oxidation and reactive transportation of the oxidation products in a pyritic, carbonate-rich, coal waste pile. The proposed model incorporates the shrinking core concept for describing pyrite oxidation, pyrite surface area reduction, oxygen diffusion, and transport of the oxidation products through the waste pile. The model governing equations were solved using the PHOENICS computational fluid dynamics model. The accuracy of the model was verified with field data. Pyrite oxidation was more intense at shallower depths where oxygen decreased almost linearly from the pile surface to an approximate depth of 2 m. The lowest pH, 3.5, was predicted at a depth of 0.5 m. The waste pile has high neutralisation potential due to buffering by carbonate minerals. The maximum concentration of SO4 2−, 31.6 mol/m3, was predicted at an approximate depth of 4 m and to remain constant throughout the rest of waste profile. Simulation of a scenario with a cap shows that iron and sulphate was removed from the upper parts of the pile; their peak concentrations shifted downward due to dilution. Oxygen source removal limited iron and sulphate production. These results will be useful for developing an appropriate remediation scheme.