Md. Wunderly et al., SULFIDE MINERAL OXIDATION AND SUBSEQUENT REACTIVE TRANSPORT OF OXIDATION-PRODUCTS IN MINE TAILINGS IMPOUNDMENTS - A NUMERICAL-MODEL, Water resources research, 32(10), 1996, pp. 3173-3187
A versatile numerical model that couples oxygen diffusion and sulfide-
mineral oxidation (PYROX) has been developed to simulate the oxidation
of pyrite in the vadose zone of mine tailings. A shrinking-core oxida
tion model and a finite element numerical scheme are used to simulate
the transport of oxygen and oxidation of pyrite grains. The rate of py
rite oxidation is assumed to be limited by the transport of oxygen to
the reaction site, The model determines the spatially variable bulk di
ffusion coefficient for oxygen on the basis of moisture content, poros
ity, and temperature, all of which are variable input parameters. The
model PYROX has been coupled to an existing reactive transport model (
MINTRAN), which uses a finite element scheme for transport of contamin
ants and MINTEQA2 to solve for the equilibrium geochemistry, The react
ions described by MINTRAN are subject to the local equilibrium assumpt
ion. The resulting model, MINTOX, is capable of simulating tailings im
poundments where the oxidation of pyrite or pyrrhotite is causing acid
ic drainage and where acid neutralization and attenuation of dissolved
metals can be attributed to equilibrium reactions, Because MINTOX use
s realistic boundary conditions and hydrogeological properties, the po
tential benefits of various remediation schemes, such as moisture-reta
ining covers, can be quantitatively evaluated.