IMPLEMENTATION OF A PITZER ACTIVITY MODEL INTO TOUGHREACT FOR MODELING CONCENTRATED SOLUTIONS
作者： Carl Steefel , Eric Sonnenthal , Nicolas Spycher , Guoxiang Zhang
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摘要: Author(s): Zhang, Guoxiang; Spycher, Nicolas; Sonnenthal, Eric; Steefel, Carl | Abstract: TOUGHREACT (Xu, et al., 2006) is a general-purpose reactive geochemical transport numerical simulator. It deals with multiphase flow, solute and reactions including aqueous complexation, mineral dissolution/precipitation cation exchange. making use of an extended Debye-Huckel ion activity model, this simulator can handle solutions concentrated to slightly above ~1 molal caution, only for NaCl-dominant waters at ionic strengths no greater than ~4 molal. However, brines produced under natural artificial conditions are often more concentrated. To such brines, pitzer model was implemented in TOUGHREACT, based on the standard Harvie-Moller-Weare (HMW) formulation that accounts all binary ternary combinations interaction terms. The vapor-pressure-lowering effect caused by low water also accounted code. version verified tested using published results from laboratory experiments benchmarked against other computer codes. This new being applied investigation boiling evaporation within around proposed high-level nuclear waste emplacement tunnels Yucca Mountain, Nevada. An example application presented. Processes considered include evaporating porewater near dryness, formation highly precipitation deliquescent salts, generation acid gases.
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