The geochemical model PHREEQC is capable of simulating a wide range of equilibrium reactions between water and minerals, ion exchangers, surface complexes, solid solutions, and gases. It also has a general kinetic formulation that allows modeling of nonequilibrium mineral dissolution and precipitation, microbial reactions, decomposition of organic compounds, and other kinetic reactions. To faci...

PHT3D, a three-dimensional, MODFLOW/MT3DMS-based reactive multicomponent transport model is presented. The model couples, via an operator-splitting method, the transport simulator MT3DMS (Zheng and Wang, 1998) and the geochemical package PHREEQC-2 (Parkhurst and Appelo, 1999). Through the flexible, generic nature of PHREEQC-2, PHT3D can handle a broad range of equilibrium and kinetic reactive p...

This paper presents the steps involved in undertaking an analysis of hydrating cements with different levels limestone powder using PHREEQC geochemical software Notepad++ editor. The begins determining which solid phases are thermodynamically predicted to precipitate and form oxide compositions commercial CEM I II/A-L cements. When known, is programmed provide predictions phase dissolution asse...

PHWAT is a new model that couples a geochemical reaction model (PHREEQC-2) with a density-dependent groundwater flow and solute transport model (SEAWAT) using the split-operator approach. PHWAT was developed to simulate multi-component reactive transport in variable density groundwater flow. Fluid density in PHWAT depends not on only the concentration of a single species as in SEAWAT, but also ...

This column reviews the general features of PHT3D Version 2, a reactive multicomponent transport model that couples the geochemical modeling software PHREEQC-2 (Parkhurst and Appelo 1999) with three-dimensional groundwater flow and transport simulators MODFLOW2000 and MT3DMS (Zheng and Wang 1999). The original version of PHT3D was developed by Henning Prommer and Version 2 by Henning Prommer an...

The development of conceptual geochemical models is enhanced by saturation index calculations that can identify the equilibrium state of minerals. Speciation modeling provides saturation indices that indicate reactions thermodynamically possible, minerals dissolving and precipitating in an aquifer system. In the present study, aqueous speciation modeling is carried out for the high fluoride gro...

Reactive transport modeling has established itself as a key player to analyze sophisticated hydro-geochemical interactions that occur over spatiotemporal scales on par with subsurface applications. In this paper, we benchmarked new reactive package—porousMedia4Foam at the continuum scale considering complex and well-established cases available in community. porousMedia4Foam was born by successf...