Inverse optimization of hydraulic, solute transport, and cation exchange parameters using HP1 and UCODE to simulate cation exchange

Jacques, Diederik; Smith, C. J.; Šimůnek, Jiřı́; Smiles, D. E.

doi:10.1016/j.jconhyd.2012.03.008

Cited by 24 publications

(17 citation statements)

References 34 publications

(49 reference statements)

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“…The versatility of HP1 was for example demonstrated for long-term transient flow and transport of major cations and heavy metals in a soil profile involving cation exchange processes [75], long-term U-migration in a soil profile following inorganic P-fertilization [76], inverse optimization of cation exchange parameters during transient flow [77], fate and transport of mercury in soils [78][79][80], chemical degradation of cement-based materials and alterations of transport parameters using a microstructural approach [73,81], and carbon fluxes in soil systems [82].…”

Section: Hpx (Hp1 Hp2 Hp3)mentioning

confidence: 99%

Reactive transport codes for subsurface environmental simulation

et al. 2014

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A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a C. I. Steefel ( ) · B. Arora · S. Molins · N. Spycher

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Section: Hpx (Hp1 Hp2 Hp3)mentioning

confidence: 99%

Reactive transport codes for subsurface environmental simulation

et al. 2014

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“…This module, contrary to two other add‐on modules (i.e., UnsatChem and HP1), can be run in both direct and inverse (calibration) mode. However, external optimization tools are required to run UnsatChem and HP1 in the inverse mode (e.g., Jacques et al, 2012). While several applications of the UnsatChem and HP1 modules are described below, an overview of applications of the DualPerm module were given by Köhne et al (2009a,b).…”

Section: Hydrus Developments Since 2008mentioning

confidence: 99%

Recent Developments and Applications of the HYDRUS Computer Software Packages

Šimůnek

Genuchten

Šejna³

2016

Vadose Zone Journal

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719

336

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The HYDRUS-1D and HYDRUS (2D/3D) computer software packages are widely used finite-element models for simulating the one-and two-or three-dimensional movement of water, heat, and multiple solutes in variably saturated media, respectively. In 2008, Šimůnek et al. (2008b) described the entire history of the development of the various HYDRUS programs and related models and tools such as STANMOD, RETC, ROSETTA, UNSODA, UNSATCHEM, HP1, and others. The objective of this manuscript is to review selected capabilities of HYDRUS that have been implemented since 2008. Our review is not limited to listing additional processes that were implemented in the standard computational modules, but also describes many new standard and nonstandard specialized add-on modules that significantly expanded the capabilities of the two software packages. We also review additional capabilities that have been incorporated into the graphical user interface (GUI) that supports the use of HYDRUS (2D/3D). Another objective of this manuscript is to review selected applications of the HYDRUS models such as evaluation of various irrigation schemes, evaluation of the effects of plant water uptake on groundwater recharge, assessing the transport of particle-like substances in the subsurface, and using the models in conjunction with various geophysical methods.Abbreviations: CRS, cosmic-ray sensing; EC, electrical conductivity; ERT, electrical resistivity tomography; FEM, finite element mesh; GPR, ground-penetrating radar; GUI, graphical user interface; TDT, time-domain transmissometry.The HYDRUS-1D and HYDRUS (2D/3D) software packages (Šimůnek et al., 2008b) are finite-element models for simulating the one-and two-or three-dimensional movement of water, heat, and multiple solutes in variably saturated media, respectively. The standard versions, as well as various specialized add-on modules, of the HYDRUS programs numerically solve the Richards equation for saturated-unsaturated water flow and convection-dispersion type equations for heat and solute transport. The flow equation incorporates a sink term to account for water uptake by plant roots as a function of water and salinity stress. Both compensated and uncompensated water uptake by roots can be considered. The heat transport equation considers movement by both conduction and convection with flowing water. The governing convection-dispersion solute transport equations are written in a relatively general form by including provisions for nonlinear, nonequilibrium reactions between the solid and liquid phases and linear equilibrium reactions between the liquid and gaseous phases. The transport models also account for convection and dispersion in the liquid phase as well as diffusion in the gas phase, thus permitting the models to simulate solute transport simultaneously in both the liquid and gaseous phases. Hence, both adsorbed and volatile solutes, such as pesticides and fumigants, can be considered.The solute transport equations further incorporate the effects of zero-order production, first-o...

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“…The RothmundKornfeld equations (Bloom and Mansell, 2001;Bond, 1995), allows one to consider the effects of a changing selectivity with site occupancy (e.g., Jacques et al (2012)). Different exchange sites can be combined to define a multisite exchange model (e.g., Jacques et al (2008b)).…”

Section: Mathematical Modelsmentioning

confidence: 99%

The HPx software for multicomponent reactive transport during variably-saturated flow: Recent developments and applications

Jacques

Šimůnek

Mallants

et al. 2018

Journal of Hydrology and Hydromechanics

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HPx is a multicomponent reactive transport model which uses HYDRUS as the flow and transport solver and PHREEQC-3 as the biogeochemical solver. Some recent adaptations have significantly increased the flexibility of the software for different environmental and engineering applications. This paper gives an overview of the most significant changes of HPx, such as coupling transport properties to geochemical state variables, gas diffusion, and transport in two and three dimensions. OpenMP allows for parallel computing using shared memory. Enhancements for scripting may eventually simplify input definitions and create possibilities for defining templates for generic (sub)problems. We included a discussion of root solute uptake and colloid-affected solute transport to show that most or all of the comprehensive features of HYDRUS can be extended with geochemical information. Finally, an example is used to demonstrate how HPx, and similar reactive transport models, can be helpful in implementing different factors relevant for soil organic matter dynamics in soils. HPx offers a unique framework to couple spatial-temporal variations in water contents, temperatures, and water fluxes, with dissolved organic matter and CO 2 transport, as well as bioturbation processes.

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Inverse optimization of hydraulic, solute transport, and cation exchange parameters using HP1 and UCODE to simulate cation exchange

Cited by 24 publications

References 34 publications

Reactive transport codes for subsurface environmental simulation

Reactive transport codes for subsurface environmental simulation

Recent Developments and Applications of the HYDRUS Computer Software Packages

The HPx software for multicomponent reactive transport during variably-saturated flow: Recent developments and applications

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