Journal ArticleDOI
Coupling of transport and chemical processes in numerical transport models
Jörg Herzer,Wolfgang Kinzelbach +1 more
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In this article, an iterative two-step procedure was proposed to incorporate multi-component interactions into one single two-dimensional finite difference transport code for equilibrium ion exchange during two dimensional transport.About:
This article is published in Geoderma.The article was published on 1989-08-01. It has received 99 citations till now. The article focuses on the topics: Discretization & Chemical equilibrium.read more
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MODFLOW/MT3DMS‐Based Reactive Multicomponent Transport Modeling
TL;DR: The model, referred to as PHT3D, couples the transport simulator MT3DMS and the geochemical modeling code PHREEQC-2 and can handle a broad range of equilibrium and kinetically controlled reactive processes, including aqueous complexation, mineral precipitation/dissolution, and ion exchange.
Journal ArticleDOI
Modeling of multicomponent reactive transport in groundwater: 1. Model development and evaluation
TL;DR: MINTRAN as discussed by the authors is a new model for simulating transport of multiple thermodynamically reacting chemical substances in groundwater systems, which consists of two main modules, a finite element transport module (PLUME2D) and an equilibrium geochemistry module (MINTEQA2).
Journal ArticleDOI
Numerical Modeling of Natural and Enhanced Denitrification Processes in Aquifers
TL;DR: In this paper, a multispecies transport model is presented which describes the interaction of oxygen, nitrate, organic carbon, and bacteria in a natural aquifer and an in situ remediation case where nitrate is employed as an oxidant.
Journal ArticleDOI
Modeling the transport of ions in unsaturated cement-based materials
E. Samson,J. Marchand +1 more
TL;DR: In this article, a multiionic transport model is proposed to describe the degradation of hydrated cement pastes exposed to pure water and sodium sulfate solutions, where the main algorithm is based on an operator splitting approach.
Journal ArticleDOI
A geochemical transport model for redox-controlled movement of mineral fronts in groundwater flow systems: A case of nitrate removal by oxidation of pyrite
Peter Engesgaard,Kenneth L. Kipp +1 more
TL;DR: In this paper, a one-dimensional prototype geochemical transport model was developed in order to handle simultaneous precipitation-dissolution and oxidation-reduction reactions governed by chemical equilibria.
References
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Book
Dynamics of fluids in porous media
TL;DR: In this paper, the Milieux poreux Reference Record was created on 2004-09-07, modified on 2016-08-08 and the reference record was updated in 2016.
ReportDOI
Phreeqe--A Computer Program for Geochemical Calculations
TL;DR: PHREEQE as mentioned in this paper is a Fortran IV computer program designed to calculate pH, redox potential, and mass transfer as a function of reaction progress for mode-1 geochemical reactions.
Journal ArticleDOI
Heuristic stability theory for finite-difference equations☆
TL;DR: In this article, a simple method is proposed for investigating the computational stability of finite-difference equations with variable coefficients, based on an examination of certain kinds of truncation errors, which is illustrated by applying it to a simple linear difference equation.
Journal ArticleDOI
Transport of reacting solutes in porous media: Relation between mathematical nature of problem formulation and chemical nature of reactions
TL;DR: In this paper, the authors show that the nature of transport-affecting chemistry may have a profound effect on the mathematical character of solute transport problem formulation, and that the results of this dependence stem from the basic properties of the reactions' chemical-relation equations.
Journal ArticleDOI
A Groundwater Mass Transport and Equilibrium Chemistry Model for Multicomponent Systems
TL;DR: TransQL as mentioned in this paper is a multicomponent transport model for a finite element solution, where the equilibrium interaction chemistry is posed independently of the mass transport equations, which leads to a set of algebraic equations for the chemistry coupled to the set of differential equations for mass transport.
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