Evidence for the critical role of nanoscale surface roughness on the retention and release of silver nanoparticles in porous media.

Although nanoscale surface roughness has been theoretically demonstrated to be a crucial factor in the interaction of colloids and surfaces, little experimental research has investigated the influence of roughness on colloid or silver nanoparticle (AgNP) retention and release in porous media. This study experimentally examined AgNP retention and release using two sands with very different surface roughness properties over a range of solution pH and/or ionic strength (IS). AgNP transport was greatly enhanced on the relatively smooth sand in comparison to the rougher sand, at higher pH, and lower IS and fitted model parameters showed systematic changes with these physicochemical factors. Complete release of the retained AgNPs was observed from the relatively smooth sand when the solution IS was decreased from 40 mM NaCl to deionized (DI) water and then the solution pH was increased from 6.5 to 10. Conversely, less than 40% of the retained AgNPs was released in similar processes from the rougher sand. These observations were explained by differences in the surface roughness of the two sands which altered the energy barrier height and the depth of the primary minimum with solution chemistry. Limited numbers of AgNPs apparently interacted in reversible, shallow primary minima on the smoother sand, which is consistent with the predicted influence of a small roughness fraction (e.g., pillar) on interaction energies. Conversely, larger numbers of AgNPs interacted in deeper primary minima on the rougher sand, which is consistent with the predicted influence at concave locations. These findings highlight the importance of surface roughness and indicate that variations in sand surface roughness can greatly change the sensitivity of nanoparticle transport to physicochemical factors such as IS and pH due to the alteration of interaction energy and thus can strongly influence nanoparticle mobility in the environment

Recent Developments and Applications of the HYDRUS Computer Software Packages

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

Adapting HYDRUS-1D to Simulate Overland Flow and Reactive Transport during Sheet Flow Deviations

Surface runoff is commonly described in numerical models using either the diffusion wave or kinematic wave equations, which assume that surface runoff occurs as sheet flow with a uniform depth and velocity across the slope. In reality, overland water flow and transport processes are rarely uniform. Local soil topography, vegetation, and spatial soil heterogeneity control directions and magnitudes of water fluxes. These spatially varying surface characteristics can generate deviations from sheet flow such as physical nonequilibrium flow and transport processes that occur only on a limited fraction of the soil surface. In this study, we first adapted the HYDRUS-1D model to solve the diffusion wave equation for overland flow at the soil surface. The numerical results obtained by the new model produced an excellent agreement with an analytical solution for the kinematic wave equation. Additional model tests further demonstrated the applicability of the adapted model to simulate the transport and fate of many different solutes (non-adsorbing tracers, nutrients, pesticides, and microbes) that undergo equilibrium and/or kinetic sorption and desorption and first- or zero-order reactions. HYDRUS-1D includes a hierarchical series of models of increasing complexity to account for both uniform and physical nonequilibrium flow and transport, e.g., dual-porosity and dual-permeability models, up to a dual-permeability model with immobile water. This same conceptualization was adapted to simulate physical nonequilibrium overland flow and transport at the soil surface. The developed model improves our ability to describe nonequilibrium overland flow and transport processes and our understanding of factors that cause this behavior

Do we know the actual magnetopause position for typical solar wind conditions?

We compare predicted magnetopause positions at the subsolar point and four reference points in the terminator plane obtained from several empirical and numerical MHD models. Empirical models using various sets of magnetopause crossings and making different assumptions about the magnetopause shape predict significantly different magnetopause positions (with a scatter >1 RE) even at the subsolar point. Axisymmetric magnetopause models cannot reproduce the cusp indentations or the changes related to the dipole tilt effect, and most of them predict the magnetopause closer to the Earth than nonaxisymmetric models for typical solar wind conditions and zero tilt angle. Predictions of two global nonaxisymmetric models do not match each other, and the models need additional verification. MHD models often predict the magnetopause closer to the Earth than the nonaxisymmetric empirical models, but the predictions of MHD simulations may need corrections for the ring current effect and decreases of the solar wind pressure that occur in the foreshock. Comparing MHD models in which the ring current magnetic field is taken into account with the empirical Lin et al. model, we find that the differences in the reference point positions predicted by these models are relatively small for Bz=0. Therefore, we assume that these predictions indicate the actual magnetopause position, but future investigations are still needed.Key PointsEmpirical models predict significantly different magnetopause positions even at the subsolar pointAxisymmetric empirical models predict the magnetopause closer to the Earth than nonaxisymmetric empirical models for zero tilt angleResults of MHD models with the ring current magnetic field lie close to results of the nonaxisymmetric Lin et al. modelPeer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/134087/1/jgra52758_am.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/134087/2/jgra52758.pd

Simplified Multistep Outflow Method to Estimate Unsaturated Hydraulic Functions for Coarse-Textured Soils

Although the multistep outfl ow (MSO) method is well suited for the estimation of soil hydraulic properties by inverse solution techniques, this method has not been widely adopted because it requires advanced instrumentation and is time consuming. Th e objective of this study was to develop a modifi ed version of the multistep outfl ow technique that largely simplifi es laboratory procedures and reduces costs and time. Th e numerical inversion procedures require applying user-friendly HYDRUS soft ware to estimate fi tting parameters for soil water retention and unsaturated hydraulic conductivity curves. Whereas values of saturated water content and saturated hydraulic conductivity must be measured independently, the remaining functional parameters are estimated using an inverse solution of a transient drainage experiment using multiple suction steps and a hanging water column, with drainage outfl ows measured during drainage. A comparison test showed that the simplifi ed experiment without tensiometric measurements provided suffi cient information in the parameter identifi cation compared with a traditional pressure outfl ow experiment with tensiometric measurements for an Oso Flaco sand and a loamy sand fi eld soil in the suction range of 0 to 17 kPa

Evaluation of Spatial and Temporal Root Water Uptake Patterns of a Flood-Irrigated Pecan Tree Using the HYDRUS (2D/3D) Model

Quantitative information about the spatial and temporal patterns of compensatory root water uptake (RWU) in flood-irrigated pecan orchard is limited. We evaluated spatio-temporal compensated and uncompensated RWU patterns of mature pecan tree in a silty clay loam orchard using the HYDRUS (2D/3D) model. HYDRUS (2D/3D) simulations, which agreed well with measured water contents and temperatures at different soil depths and horizontal distances from the tree trunk, suggested that while both compensated and uncompensated RWU varied with soil depth they did not do so laterally because of similar spatial vertical distributions of root length density (RLD) for the under-canopy and the tree canopy dripline locations. Considering compensated RWU resulted in an increase in actual transpiration by 8%, and a decrease in evaporation and drainage by 5% and 50%, respectively, during a growing season. Simulated transpiration and relative transpiration (a ratio between actual and potential transpiration) values were correlated with measured transpiration and plant-based water stress indicators (stem and leaf water potentials), respectively. Overall, our results of the spatio-temporal compensatory RWU provide support to use HYDRUS (2D/3D) as a tool for managing efficient water use of pecan. © 2013 American Society of Civil Engineers. ASCE/AUGUST 2013