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Technologies for Prediction

TECH GUIDE

Modeling

Predictive computer modeling is used to mathematically describe the behavior of sulfide minerals under various conditions. These models take into account chemical processes involved with weathering of sulfide minerals such as oxidation of sulfide minerals, dissolution of buffering minerals, oxidation/reduction reactions, ion exchange/adsorption, secondary mineral precipitation and catalysis by bacteria. They also take into account physical processes involved such as oxygen diffusion, saturated/unsaturated water flow and diffusion of oxidation products form reactive surfaces. The models can predict the migration of impacted waters and predict future drainage quality, thereby providing a basis for decision making regarding acid mine drainage prevention and control measures.

Models can be empirical, deterministic, mechanistic or a combination. Empirical models are based on statistical relationships between parameters of interest (e.g. metal concentration) and other variables such as time. The relationships are usually defined by regression and correlation analyses. This method requires significant field data collection in order to obtain accurate relationships between parameters. Empirical models do not take into account geochemical and physical processes in a mathematical sense rather, they directly describe the result of all processes occurring simultaneously in the field. Models that are based on statistical relationships for a certain site are limited in their applicability to other sites, therefore, empirical models are generally used on a site-to-site basis.

Deterministic and mechanistic models rely on mathematical equations to describe chemical and physical processes which, in turn, predict acid generation potential, buffering potential and metal leaching potential. Deterministic models apply scientific principles such as the conservation of mass, momentum and energy. Mechanistic models include kinetic, thermodynamic equilibrium and mass transport models. Solving the theoretical equations in these models can be complex and require that simplifying assumptions be made. These assumptions include the use of simplified geometry, homogeneity and idealized initial conditions and boundary conditions. Parameter estimates (i.e. chemical reaction rates, mass transfer coefficients) have a critical role in mechanistic modeling, and are often based on laboratory studies, physical models and field experiments. The predictive capability of mechanistic models can be significantly improved by applying probabilistic uncertainty analyses to examine the sensitivity of predicted values to one or more parameters or assumptions.

Models may be based partially on empirical models and partially on deterministic models. Some parameters cannot be described well by mathematical equations since some processes are not well understood, therefore, empirical equations can be used. Modeling of drainage from tailings can be described by empirical or deterministic/mechanistic models. Mathematical models for drainage from tailings piles have evolved significantly and for the most part, adequately predict future drainage conditions. On the other hand, drainage prediction for waste rock is largely described by empirical models since many processes involved are not well understood and therefore, cannot be explained mathematically.

A manual produced by the Mine Environment Neutral Drainage Program (MEND) gives examples of different empirical and deterministic models used for prediction of acid mine drainage generation (MEND, 2000).

 

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