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PHREEQC version 3 is a computer program written in the C and C++ programming languages that is designed to perform a wide variety of aqueous geochemical calculations. PHREEQC implements several types of aqueous models: two ion-association aqueous models (the Lawrence Livermore National Laboratory model and WATEQ4F), a Pitzer specific-ion-interaction aqueous model, and the SIT (Specific ion Interaction Theory) aqueous model. Using any of these aqueous models, PHREEQC has capabilities for (1) speciation and saturation-index calculations; (2) batch-reaction and one-dimensional (1D) transport calculations with reversible and irreversible reactions, which include aqueous, mineral, gas, solid-solution, surface-complexation, and ion-exchange equilibria, and specified mole transfers of reactants, kinetically controlled reactions, mixing of solutions, and pressure and temperature changes; and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for differences in composition between waters within specified compositional uncertainty limits.
This book is a definitive reference on the environmental geochemistry and resource potential of metallurgical slags
To understand hydrochemistry and to analyze natural as well as man-made impacts on aquatic systems, hydrogeochemical models have been used since the 1960’s and more frequently in recent times. Numerical groundwater flow, transport, and geochemical models are important tools besides classical deterministic and analytical approaches. Solving complex linear or non-linear systems of equations, commonly with hundreds of unknown parameters, is a routine task for a PC. Modeling hydrogeochemical processes requires a detailed and accurate water analysis, as well as thermodynamic and kinetic data as input. Thermodynamic data, such as complex formation constants and solubility-products, are often provided as databases within the respective programs. However, the description of surface-controlled reactions (sorption, cation exchange, surface complexation) and kinetically controlled reactions requires additional input data. Unlike groundwater flow and transport models, thermodynamic models, in principal, do not need any calibration. However, considering surface-controlled or kinetically controlled reaction models might be subject to calibration. Typical problems for the application of geochemical models are: • speciation • determination of saturation indices • adjustment of equilibria/disequilibria for minerals or gases • mixing of different waters • modeling the effects of temperature • stoichiometric reactions (e.g. titration) • reactions with solids, fluids, and gaseous phases (in open and closed systems) • sorption (cation exchange, surface complexation) • inverse modeling • kinetically controlled reactions • reactive transport Hydrogeochemical models depend on the quality of the chemical analysis, the boundary conditions presumed by the program, theoretical concepts (e.g.
This unique volume provides a comprehensive overview of all the major aspects of modern drinking water systems in the western European context. It not only covers the theoretical principles, but also the historical background and practical aspects of design and operation, legislation, planning and finance of drinking water supply in its social and economic context.The principles and practices are illustrated using experiences from The Netherlands. The Dutch drinking water supply is well known for its multiple barrier systems and high technical standards. The Dutch drinking water is of high quality and does not contain chlorine, and the Dutch therefore readily drink tap water and do not see the need to buy bottled water or in-house filters, with their drawbacks on national economics, public health and the environment. This illustrative overview can be used as a reference for other countries and regions.
This tutorial provides the application of the coupling interface OGS#IPhreeqc (open-source scientific software) to model reactive mass transport processes in environmental subsurface systems. It contains general information regarding reactive transport modeling and step-by-step model set-up with OGS#IPhreeqc and related components such as GINA and ParaView. Benchmark examples (1D to 2D) are presented in detail. The book is intended primarily for graduate students and applied scientists who deal with reactive transport modeling. It also gives valuable information to the professional geoscientists wishing to advance their knowledge in numerical simulation, with the focus on the fate and transport of nitrate. It is the third volume in a series that represents the further application of computational modeling in hydrological science.