Nonreactive Solute Research Articles

DNA-labeled chitosan nanoparticles: A potential new surrogate for assessing rotavirus attenuation and transport in sand filtration water treatment

Despite being a model in waterborne risk assessment, rotavirus attenuation and transport in sand filtration water treatment remains poorly understood due to a lack of representative surrogates. We investigated the suitability of DNA-labeled chitosan nanoparticles (DCNPs) to mimic rotavirus attenuation and transport in coastal and alluvial sands. Chitosan nanoparticles were synthesized and coupled with a DNA tracer. Compared to rotavirus, DCNPs had similar size (79 ± 7.2 nm vs. 72.5 nm) and buoyant density (1.65 ± 0.07 g/cm³ vs. 1.36–1.40 g/cm³) but a less negative zeta potential (−20.61 ± 1.94 mV vs. −29.77 ± 0.86 mV) and lower hydrophobicity (0% vs. 44%). Filtration experiments (flow rate 1.26–1.27 ml/min, pH 6.0, electrical conductivity 224–226 μs/cm) showed that DCNPs approximated rotavirus attenuation in coastal and alluvial sands (p ≥ 0.07). Repeated dosing of rotavirus and DCNPs caused removal efficiencies to decline in the sand media. Both entities displayed faster and less dispersive transport than a nonreactive solute tracer (NaCl) in sand media. This preliminary study suggested that DCNPs can approximately mimic rotavirus attenuation and transport in coastal and alluvial sands. However, further validation under diverse experimental conditions is necessary. This includes varying flow rates, pH levels, ionic strengths, and the presence of multivalent cations (e.g., Ca2+ and Mg2+) and organic matter. DCNPs, made from a nontoxic, biocompatible, and biodegradable natural biopolymer, hold promise as a safe tool for assessing rotavirus attenuation and transport in sand filtration water treatment and aquifer filtration processes.

Comparison of non-reactive solute transport models for the evaluation of fluid flow in packed beds with implications for heap leaching practice

This study investigated the effects of mean particle size fraction, bottom particle size, particle porosity and wettability on solution scale preferential flow behaviour via step input tracer tests in drip irrigated, narrowly and mixed-sized beds under steady state fluid flux. Nine solute transport models were used to quantify this behaviour reflected in the residence time distribution (RTD) profiles. Four were empirical models: three compartmental model configurations (CM-1, CM-2, CM-3) and tanks-in-series (TIS) model. The remainder five models were semi-empirical: advection dispersion (AD), piston exchange (PE), piston exchange - diffusion variant (PE-D), piston dispersion and exchange (PDE) and piston dispersion and exchange - diffusion variant (PDED). The model fit results showed that the mono-porosity TIS, AD and CM-2 models were the worst performers, while the dual porosity PDE and novel PDE-D models achieved the lowest average error values across the various systems. Higher levels of particle wettability coupled with capillary effects produced peculiar RTD curves that were relatively more difficult for the mono-porosity models to simulate. The model parameters investigated included the longitudinal dispersion coefficient (Dds), dead to total volume fraction (VD/VT), dynamic to total saturation fraction (βd/βT), overall mass transfer coefficient (Kma) and maximum diffusional pore length (X). The results showed that an increase in the average particle size within the beds led to higher VD/VT, Dds and X values, but lower βd/βT and Kma values. These indicate an overall increase in solution scale preferential flow behaviour. Decreased capillary suction and connectivity between particle pores and inter-particle voids were deemed responsible for the results. Higher levels of particle porosity acted as a buffer against these effects. Overall, the results highlight the benefit of the addition of fines (0.1–1 mm particles) during the agglomeration process in heaps to help reduce solution scale preferential flow behaviour and increase liquid hold-up. This is more necessary when the ore has low to moderate levels of porosity (surface area: <2 m2/g) and will also increase the modelling options available as most models performed better fitting data from such beds.

Links between soil pore structure, water flow and solute transport in the topsoil of an arable field: Does soil organic carbon matter?

An improved understanding of preferential solute transport in soil macropores would enable more reliable predictions of the fate of agrochemicals and the protection of water quality in agricultural landscapes. The objective of this study was to investigate how soil organic carbon (SOC) and soil texture shape soil pore structure and thereby determine the susceptibility to preferential transport under steady-state near-saturated flow conditions. To do so, we took intact topsoil samples from an arable field that has large variations in SOC content (1.1–2.7%) and clay content (8–42%). Soil pore structure was quantified by X-ray tomography and soil water retention measurements. Non-reactive solute transport experiments under steady-state near-saturated conditions were carried out at irrigation rates of 2 and 5 mm h−1 to quantify the degree of preferential transport. Near-saturated hydraulic conductivities at pressure heads of −1.3 and −6 cm were also measured using a tension disc infiltrometer. The results showed that larger abundances of small macropores (240–720 µm diameter) and mesopores (5–100 µm diameter) resulted in weaker preferential transport, due to larger hydraulic conductivities in the soil matrix that prevented the activation of water flow and solute transport in large macropores. In particular, the degree of preferential transport was most strongly and negatively correlated with the mesoporosity in the 30–100 µm diameter class. In contrast, the degree of preferential transport was not correlated with connectivity measures (e.g. the percolating fraction and critical pore diameter for the macropore network), probably because i.) the pore space of almost all samples was highly connected, being dominated by one percolating cluster, and ii.) only a part of this percolating macroporosity was active under the near-saturated conditions of the experiment. We also found that the degree of preferential transport was strongly and negatively correlated with clay content, whilst the effects of SOC were not significant. Nevertheless, macroporosity in the 240–720 µm diameter class and mesoporosity were positively correlated with SOC content in our soils and in some previous studies. Therefore, SOC sequestration in arable soils may potentially reduce the risk of preferential transport under near-saturated flow conditions through better developed networks of small macropores and mesopores.

Numerical investigation of solute migration and release from sediments driven by wave-induced accumulation of pore water pressure

Sediments with poor drainage conditions are prone to build-up of excess pore water pressure when exposed to dynamic wave loading. This results in accumulated seepage flow that may have a significant impact on migration of solutes in marine sediments. In this study, the complex interplay between solute transport and wave-induced seepage process is investigated through a pioneering approach that combines and synchronously solves the two-dimensional advection-dispersion equation governing nonreactive solute transport with the governing equations for wave-induced oscillatory and residual pore pressures. The simulated results have demonstrated that the accumulated seepage flow significantly contributes to the advective and dispersive fluxes of solute, where the advection leads to movement of the solute layer and the hydrodynamic dispersion primarily enlarges the thickness of solute layer. The distribution of residual pore water pressure along depth exhibits two patterns that are primarily influenced by the thickness of the seabed. When the seabed is thinner than 0.3 times the wavelength, the residual pore pressure increases monotonically with depth (Pattern I). In this situation, the solute always migrates upwards to the seabed surface. Otherwise, Pattern II depicts the distribution of residual pore pressure, where the peak value of residual pore pressure attains at a certain depth and may advance downwards with wave action time. In this case, the direction of solute migration in regions shallower than a certain depth (e.g., 0.6 times the thickness of sediment) may alternate over time but the solute can eventually be transported upwards to seabed surface. The parametric study shows that when the seabed thickness is 0.2–0.3 times the wavelength, accumulated seepage flow has less effect on solute migration, whereas decreasing relative density and shear modulus, as well as increasing soil permeability can enhance the effect of accumulated pore water pressure on solute migration.

A solute transport in deformable dual-porosity media using mixture-coupling theory

Rock, soil and many porous-like materials are often fractured or structured media, which can exhibit dual-porosity behaviour. Studies on solute transport in deformable dual-porosity media remain challenging due to the multi-physics coupled effects and the complex interaction between fractures (or macropores) and the porous matrix. Although several studies exist on constitutive modelling of coupled behaviour in deformable dual-porosity media, the previously developed models are not systematic in thermodynamical frameworks. This paper proposes a mixture coupling theory approach based on non-equilibrium thermodynamics to develop a solute transport model with consideration of hydromechanical coupling in dual-porosity media (referred to as the ST-HM model). This paper derives the constitutive equations of fully hydromechanical coupled behaviour in dual-porosity media and considers the pore and fracture porosity evolution influenced by both hydraulic and mechanical fields. Therefore, the governing equations of ST-HM are capable of predicting non-reactive solute transport with a fully hydromechanical coupled effect in dual-porosity media. Then, the model was verified against existing models and validated by relevant experimental results. Further, a numerical example shows that the presented model significantly improves the accuracy of the prediction of porosity, fluid pressure and solute concentration compared with previous models, which ignore the fully hydromechanical coupled effects on solute transport.

Global sensitivity study of non-reactive and sorptive solute dispersivity in multiscale heterogeneous sediments

Lagrangian-based transport models provide effective ways of understanding mass transport processes within aquifer systems. The models provide a direct relationship between sparse data on sedimentary architecture (e.g., facies proportions and mean lengths) and physical and geochemical sediment properties (e.g., hydraulic conductivity (K) and sorption distribution coefficient (Kd)) to transport observables such as dispersion. Data sparsity leads to parameter uncertainty, which in turn makes model prediction uncertain. This study identifies the key uncertain inputs for both non-reactive and sorptive solute dispersivity through a global sensitivity analysis. Estimates of the individual and correlation contributions of input parameters to model output are provided. Data from two sites with different scales of heterogeneities are used to evaluate the sensitive parameters of non-reactive dispersivity at different scales. The results show that sorptive solute dispersivity is most sensitive to in-facies mean Kd, followed by Kd variance, while non-reactive plume dispersivity is most sensitive to in-facies mean K, followed by the volume proportions and mean lengths of facies types. When the heterogeneity integral scale increases to 102-103m, hydraulic gradient becomes a non-negligible factor controlling the non-reactive solutes transport. The convergence of the sensitivity indices and the effect of different sampling methods on the results are also evaluated in this study. The results show that the number of input parameters and the complexity of the model determine the sampling size to achieve the ranking convergence of the sensitive indices. Sobol sequence sampling scheme outperforms in terms of convergence rate and accuracy over the Monte Carlo and Latin Hypercube sampling schemes. The results of this study will improve our understanding of the complex model system, and also provide guidance for further field investigation and data collection.

Numerical investigation of solute transport into deformable marine sediments driven by ocean waves

Most existing studies do not consider the effect that the deformability of submarine sediments may have on solute transport under the action of ocean waves. In this study a two-dimensional numerical model based on Biot’s poro-elastic consolidation theory and an advection–dispersion equation is established to investigate the transport of non-reactive solute into a deformable porous seabed under the influence of ocean waves. The numerical model is then validated against experimental and analytical results in order to demonstrate its accuracy and robustness. The simulation results indicate that ignoring the deformability of seabed soil and associated seepage force due to ocean waves may lead to a significant underestimation of the rate of solute transport in shallow layers of marine sediment, particularly fine sand or silt. The effects of parameters such as the shear modulus, non-dimensional mechanical dispersion coefficient (related to particle size and permeability), dimensionless sediment thickness, wave steepness and the relative water depth have on solute transport into deformable sediments were investigated. The results indicate that the ratio of the longitudinal coefficient of mechanical dispersion between deformable and non-deformable sediments that can represent the enhancement of solute migration due to soil deformation may reach up to 85. This becomes more pronounced as the shear modulus and permeability of sediments decrease and the depth of water increases when the sediment thickness is less than 0.8 times the wavelength. The rate of solute transport in deformable sediments reaches its maximum when the sediment thickness is about 0.2 times the wavelength. In fact, as the relative water depth increases from 0.1 to 0.3, the enhancement of solute migration due to wave-induced soil deformation increases by about 60%-80%. In comparison to linear waves, shallow water waves, e.g., the first-order cnoidal waves, can increase the transport of solute more due to its strong non-linear behaviour, particularly in deformable seabed.

Transport phenomena with reactions in drug delivery: Towards a quantitative description

AbstractA distributed system called a Krogh cylinder is used here to quantify the transport of a solute from the capillary into the extravascular tissue. The capillary network is broken down into cylindrical cells, each containing a capillary and an appropriate amount of extravascular tissue. The flow in the cylinder model has two‐dimensional velocities, which are in the axial and radial directions. All parameters of the system, together with the geometric ones, have been included in the model. For a given bioavailability, the uptakes of reactive and nonreactive solutes have been obtained. Very large or massive molecules have been considered. The diffusion in the tissue is found to be very low. Most of the drug uptake happens through convection, which is slowed down in the presence of a reaction. Further, this convection is entirely due to the flow out into the lymphatic system. For the case where a reaction takes place, local equilibrium is assumed, which both cuts down the computation times and provides good results in the case of reactive solutes. The full results of a distributed system have been obtained for the first time, and the mechanics of how the area‐under‐the‐curve can be used to calculate the actual solute uptake have been determined.

Mixing in Porous Media: Concepts and Approaches Across Scales

This review provides an overview of concepts and approaches for the quantification of passive, non-reactive solute mixing in steady uniform porous media flows across scales. Mixing in porous media is the result of the interaction of spatial velocity fluctuations and diffusion or local-scale dispersion, which may lead to the homogenization of an initially segregated system. Velocity fluctuations are induced by spatial medium heterogeneities at the pore, Darcy or regional scales. Thus, mixing in porous media is a multiscale process, which depends on the medium structure and flow conditions. In the first part of the review, we discuss the interrelated processes of stirring, dispersion and mixing, and review approaches to quantify them that apply across scales. This implies concepts of hydrodynamic dispersion, approaches to quantify mixing state and mixing dynamics in terms of concentration statistics, and approaches to quantify the mechanisms of mixing. We review the characterization of stirring in terms of fluid deformation and folding and its relation with hydrodynamic dispersion. The integration of these dynamics to quantify the mechanisms of mixing is discussed in terms of lamellar mixing models. In the second part of this review, we discuss these concepts and approaches for the characterization of mixing in Poiseuille flow, and in porous media flows at the pore, Darcy and regional scales. Due to the fundamental nature of the mechanisms and processes of mixing, the concepts and approaches discussed in this review underpin the quantitative analysis of mixing phenomena in porous media flow systems in general.

Forward and back diffusion of reactive contaminants through multi-layer low permeability sediments

Contaminants stored in the low permeability sediments will continue to threaten the adjacent shallow groundwater system after the aquifer is remediated. Understanding the storage and discharge behavior of contaminants in the aquitards is essential for the efficient remediation of contaminated sites, but most of the previous analytical studies focused on nonreactive solutes in a single homogenous aquitard. This study presents novel analytical solutions for the forward and back diffusion of contaminants through multi-layer low permeability sediments considering abiotic and biotic environmental degradation. Three representative source depletion patterns (i.e., instantaneous, linear, and exponential patterns) were selected to describe the dissolution of dense non-aqueous phase liquids (DNAPL) in the aquifer more realistically. At the forward diffusion stage, the mass storage of contaminants in the aquitards with the instantaneous pattern is the largest, nearly twice that with the exponential pattern. A simple equivalent homogeneous model is generally adopted in the risk assessment. However, relative to the proposed multi-layer model, it will significantly underestimate the onset of the back-diffusion of heterogeneous aquitards and overestimate the persistence of aquifer plumes. The previously-reported semi-infinite boundary assumption is also not applicable, with a maximum error of over 200% in the long-term prediction of back diffusion behavior of a thin aquitard. Moreover, when the degradation half-life is less than 16 years, less than 10% of the contaminants stored in the aquitards will diffuse into the overlying aquifer, suggesting that biostimulation or bioaugmentation can effectively mitigate back-diffusion risk. Overall, the proposed diffusion-reaction coupled model with multi-layer media is of great value and high demand in predicting the back-diffusion behavior of heterogeneous aquitards and guiding the soil bioremediation.

Diffusion of soluble organic substrates in aerobic granular sludge: Effect of molecular weight

Aerobic granular sludge (AGS) is an advanced biofilm-based technology for wastewater treatment. Diffusion of substrates into the granules is a key aspect of this technology. Domestic wastewater contains soluble organic substrates of different sizes that could potentially diffuse into the granules. In this study, the relation between the molecular weight of a substrate and its diffusion coefficient within the granule was studied with model substrates (polyethylene glycols (PEGs) with a molecular weight between 62 and 10 000 Da). The diffusion coefficients of the model substrates within granules from a full-scale installation were measured with the ‘transient uptake of a non-reactive solute’ method. The diffusion coefficients in the granules were not significantly different from the diffusion coefficients in water, at least up to 4000 Da molecular weight. This indicates that these PEGs were not obstructed by the granule matrix. The 10 kDa PEG behaved differently from the lighter PEGs, as it could not penetrate the entire granule. Furthermore, the granule structure was characterized with Environmental Scanning Electron Microscopy (ESEM). The granules displayed an open structure with large macropores and semi-solid regions, which contained microbial cells. The diffusion results suggest that most diffusing molecules were unobstructed in the macropores and barely obstructed in the semi-solid regions. Only the diffusion of the 10 kDa PEG seemed to be hindered by the semi-solid regions, but not by the macropores. Lastly, the apparent molecular weight distribution of domestic wastewater soluble COD was determined with ultrafiltration membranes of 100, 10, and 1 kDa molecular weight cut-off. The influent fractionation revealed that a large part (61–69%) of the influent soluble COD was lighter than 1 kDa. As molecules lighter than 1 kDa diffuse easily, the majority of the influent soluble COD can be considered as diffusible COD. These findings provide new insight into the availability of influent COD for granular sludge.

Density and size-dependent bioturbation effects of the infaunal polychaete Nephtys incisa on sediment biogeochemistry and solute exchange

The impact of bioturbation on the geochemistry of aquatic sediments is known to depend on the benthic infauna species that are present. However, burrowing and activity patterns of each species may also change during the different stages of a life cycle. In this study, we examined the effects of four size classes of the polychaete Nephtys incisa on burrow networks and sediment biogeochemistry. In our experimental aquaria, the total biovolume (~ biomass) of Nephtys was kept constant, but different age classes were introduced, so the size and abundance varied between treatments. Despite differences in the geometry of burrow networks (due to varying density and size of burrows as revealed by X-radiography), the transport of nonreactive solutes (Br–) showed little difference between treatments. In contrast, the depth distribution of reactive solutes (Fe2+, Mn2+, TPO3– 4, TCO2, O2, pH) depended on oxidized sediment volumes and on spatial micro-heterogeneity related to burrowing patterns. Net fluxes of O2, TCO2, and NO– 3 fluxes were strongly affected by age-dependent burrowing patterns. Carbonate dissolution and remineralization rates (reflected by TCO 2fluxes) were enhanced as the size of individuals increased. NO– 3fluxes showed progressive change from dominance of nitrification (release) to denitrification (uptake) as burrow densities decreased with larger individuals. We conclude that different age-size classes of a single species at identical biovolume affect biogeo- chemical cycling differently, due to changes in burrow sizes and burrow densities. Because of redox reaction coupling associated with burrow geometries (Fe2+, Mn2+ oxidation patterns), similar magnitudes of nonlocal transport may be a misleading indicator of biogenic impacts. Our observations demonstrate that biogeochemical impacts must be evaluated in the context of size (age-) specific traits and population densities rather than biomass or biovolume alone.

Modeling transport, fate, and removal kinetics of nitrate and orthophosphate using recycled adsorbents for high and low-flow stormwater runoff treatment

Excessive nitrate and orthophosphate carried by the stormwater runoff potentially lead to eutrophication in surface water bodies. Various green infrastructures are used that commonly consider the biological treatment of nutrients from the runoff. Due to the leaching and clogging complexities in biological mechanisms, the selection of high-flow, eco-friendly, and recycled adsorbents has been advocated to promote the physiochemical treatment of nutrients as an alternative. In this study, column experiments were conducted to investigate the transport, fate, adsorption equilibria, and reaction kinetics of nitrate (NO3–N) and orthophosphate (PO4–P) onto three recycled adsorbents - recycled concrete aggregate (RCA), recycled crushed glass (RCG), rice husks (RH), and a layered media (LM), under high and low-flow conditions. The non-reactive solute transport in columns was investigated through the bromide tracer test. The HYDRUS-1D model was used to estimate adsorption coefficients and reaction kinetics of pollutants in unsaturated media columns. Our results indicated the maximum superficial pore velocity (v = 4.40 cm/s) and dispersion (α = 2.50 cm) in RCA at the low-flow condition. Overall, NO3–N removal at the exhaustion was low in all columns, ranging between 1 and 25%. Conversely, orthophosphate removal was significant (p < 0.05) in RCA (≤94%) under low flow conditions with increased reaction kinetics (kr,d = 3.45 min−1, kr,s = 0.55 min−1) and enhanced adsorption capacity at saturation (qmax = 1.87E+05–2.33E+05 mg/kg). In conclusion, the dissolved-phase reaction kinetics (kr,d) played a significant role apart from the physisorption for the satisfactory removal of orthophosphate in RCA.

Inclusion of slow infiltration in determining the influence time of saline sediments on reservoir water

The influence time of polluted sediments on water quality, as well as the influence degree, plays a key role in decision-making for sediment pollution control. However, factors that determine influence time, especially slow infiltration through sediments, are poorly known. Further, there is a lack of corresponding indexes and efficient models to accurately identify the critical moment in determining the influence time from the dynamic process of interaction between downward advection (infiltration) and upward diffusion at the sediment-water interface. Therefore, this article focuses on methods for determining the influence time of saline sediments on reservoir water salinisation. An alternative expression of Péclet number (Pe=uCD∂C/∂xx=0) is proposed to characterise the transient relative role of downward advection versus upward diffusion on the transport of non-reactive solutes; Pe = 1 can be used as an exact criterion for identifying the critical moment when saline sediments no longer affect the overlying water. We then developed a single-domain model that does not require an alternate run the two subdomains in solving processes, enabling to flexibly simulate sediment-water interactions, both effectively and efficiently. By combining this model with the alternative Pe, the influence time of saline sediments on reservoir water can be accurately determined. We used the planned Muguandao Coastal Reservoir, Qingdao, China, as an example to explore the effects of infiltration on the influence time. The influence time shortens with infiltration rates in a power function relationship and decreases from 970 years to 19.3 years in the rate range of (1–7) ×10−2 m/year. Furthermore, based on the simulation and sensitivity analysis, we suggest a simple formula (t=5.25D/u2) to directly predict the influence time of saline sediments on water salinisation for shallow mixed coastal reservoirs. The importance of understanding slow infiltration in determining the influence time is discussed.

Influence of Clay on Solute Transport in Saturated Homogeneous Mixed Media

In this study, four homogeneous porous media (HPM1-HPM4), consisting of distinct proportions of sand-sized and clay-sized solid beads, were prepared and used as single fracture infills. Flow and nonreactive solute transport experiments in HPM1-HPM4 under three flow rates were conducted, and the measured breakthrough curves (BTCs) were quantified using conventional advection-dispersion equation (ADE), mobile-immobile model (MIM), and continuous time random walk (CTRW) model with truncated power law transition time distribution. The measured BTCs showed stronger non-Fickian behaviour in HPM2-HPM4 (which had clay) than in HPM1 (which had no clay), implying that clay enhanced the non-Fickian transport. As the fraction of clay increased, the global error of ADE fits also increased, affirming the inefficiency of ADE in capturing the clay-induced non-Fickian behaviour. MIM and CTRW performed better in capturing the non-Fickian behaviour. Nonetheless, CTRW’s performance was robust. 12.5% and 25% of clay in HPM2 and HPM3, respectively, decreased the flowing fluid region and increased the solute exchange rate between the flowing and stagnant fluid regions in MIM. For CTRW, the power law exponent ( β CTRW ) values were 1.96, 1.75, and 1.63 in HPM1-HPM3, respectively, implying enhanced non-Fickian behaviour. However, for HPM4, whose clay fraction was 50%, the β CTRW value was 1.87, implying a deviation in the trend of non-Fickian enhancement with increasing clay fraction. This deviation indicated that non-Fickian behaviour enhancement depended on the fraction of clay present. Moreover, increasing flow rate enhanced the non-Fickian transport based on β CTRW .

Steric and Slippage Effects on Mass Transport by Using an Oscillatory Electroosmotic Flow of Power-Law Fluids.

In this paper, the combined effect of the fluid rheology, finite-sized ions, and slippage toward augmenting a non-reacting solute’s mass transport due to an oscillatory electroosmotic flow (OEOF) is determined. Bikerman’s model is used to include the finite-sized ions (steric effects) in the original Poisson-Boltzmann (PB) equation. The volume fraction of ions quantifies the steric effects in the modified Poisson-Boltzmann (MPB) equation to predict the electrical potential and the ion concentration close to the charged microchannel walls. The hydrodynamics is affected by slippage, in which the slip length was used as an index for wall hydrophobicity. A conventional finite difference scheme was used to solve the momentum and species transport equations in the lubrication limit together with the MPB equation. The results suggest that the combined slippage and steric effects promote the best conditions to enhance the mass transport of species in about 90% compared with no steric effect with proper choices of the Debye length, Navier length, steric factor, Womersley number, and the tidal displacement.

A new transfer function model for the estimation of non-point-source solute travel times

The scope of this work is to present a new fast and reliable transfer function model, which simulates the spatio-temporal distribution of non-point-source solutes along the unsaturated zone, suitable to be used at large scales within a web-based Decision Support System. With the assumptions of a) a gravity induced water flow, b) a non-reactive solute and c) a purely convective flow, the model uses the transfer functions, i.e., the travel time (TT) probability density functions, derived from the unsaturated hydraulic conductivity curve k(θ). The output concentration of a solute is simply the convolution of the transfer functions with the input concentrations to the system. A model sensitivity analysis, based on Monte Carlo simulations, was carried out, showing that saturated water content and the tortuosity parameter τ were the parameters that affected the mean TT more. The model was validated against concentration experiments carried out on four large soil columns. Results were really good for all soils, with the best agreement with R2 = 0.97, RMSE = 0.11 and ME = −0.01. Moreover, the outputs obtained applying the model to 46 soil profiles sampled in the Valle Telesina, in Southern Italy, completely characterised from the hydrological point of view, were compared with those obtained from the Richard-based model Hydrus 1D. The result of the comparisons gave a very high correlation coefficient (above 0.8), a mean absolute error between the two models of around 40 days and a percent bias of −16%. Finally, the application of transfer function model to a large spatial extent is presented, to show its possible use for the groundwater vulnerability assessment.

Energy efficiency analysis of mass transport enhancement in time-periodic oscillatory electroosmosis

The streamwise mass transport of passive, neutral non-reacting solutes in oscillatory electroosmotic microchannel flows is theoretically investigated from an energy consumption and efficiency perspective for general asymmetric wall zeta potentials and slip velocities. Analytical solutions to the averaged mass transport and total power input (consisting of Joule heating, viscous dissipation, and sliding friction) are obtained and expressed in terms of the relevant parameters governing the system. Particularly, we define a “χg-parameter” to quantify the mass transport gained (excluding pure diffusion) per total power input in our analysis and discussions. While the no-slip, symmetric potential χg-performances agree with the mass transport results reported in previous literature, a “resonance like” behavior in the χg-performances is identified for large enough Womersley numbers and symmetric slip lengths despite the extra sliding friction, viscous dissipation, and Joule heating consumptions in the symmetric zeta potential configuration. When favorable asymmetries in the wall potentials and slip lengths are introduced, the χg-performances are not only considerably improved, but also highly correlated with the magnitudes of the velocity gradients in the oscillatory velocity profiles, hence reinforcing the physical picture of Taylor–Aris dispersion. Geometric symmetry can be identified among distinct velocity profiles which yield the same χg-performance. These profiles are generally associated with particular families of wall potential and/or slip length combinations also exhibiting symmetry among one another. Finally, the aspect ratio of the slit microchannel (width divided by length) is found to play a crucial role in significantly improving the χg-energy efficiency of mass transport in time-periodic electroosmosis.

Investigating the impact of exit effects on solute transport in macroporous media

Abstract. The effect of macropore flow on solute transport has spurred much research over the last forty years. In this study, non-reactive solute transport in water-saturated columns filled with porous media crossed by a macropore was experimentally and numerically investigated. The emphasis was put on the study of exit effects, whose very existence is inherent to the finite size of any experimental column. We specifically investigated the impact of a filter at the column outlet on water flow and solute transport in macroporous systems. Experiments involving breakthrough measurements and magnetic resonance imaging (MRI) showed that solute transport displayed some significant non-unidirectional features, with a strong mass exchange at the interface between the macropore and the matrix. Fluid dynamics and transport simulations indicated that this was due to the non-unidirectional nature of the flow field close to the outlet filter. The flow near the exit of the column was shown to be strongly impacted by the presence of the outlet filter, which acts as a barrier and redistributes water from the macropore to the matrix. This impact was apparent on the breakthrough curves and the MRI images. It was also confirmed by computer simulations and could, if not properly taken into account, impede the accurate inference of the transport properties of macroporous media from breakthrough experiments.

Water Dynamics Combined with a Supply of NPK Solutes and Urea in a 3-Layer Soil Profile under Drip Irrigation

The intensive and inappropriate use of water, fertilizers and phytosanitary products is sources of water and soil pollution. It is thus necessary to improve the management of irrigation water in order to optimize its use and productivity, especially in regions where water resources are becoming increasingly scarce. The water flow and non-reactive solutes’ transport simulation under drip irrigation were carried out in a 3-layered soil profile distributed from top to bottom i.e., sandy, sandy-silty, silty-sandy-clay. The aim of this study was thus, to provide a good practice of water management associated with solutes’ application, in order to retain as much solute as possible in the root zone, which will increase the residence time of the solutes. Three treatments of water flux corresponding to 100% ETc, 75% ETc, 50% ETc, combined with 100 mmol /L/ m2 of NPK and 246 mmol/L/m2 of urea applicable in two doses, were carried out over a period of 110 days corresponding to the duration of the cropping cycle for the intermediate variety of maize. The 100% ETc and 75% ETc treatments cause more loss of water and solutes, because of the sandy texture of the soil. However, a 50% ETc water flux would reduce more water loss through drainage, and solutes’ loss due to leaching beyond the root zone, which would increase the residence time of solutes in the soil profile. Application tests of the NPK solute on different days before the 15th day after sowing were also carried out according to the technical itinerary for maize production in Burkina Faso, in order to find a favorable day for application of the solute. For the different dates of solute’s application, there was more loss of the solute as we approach the 15th day after sowing. To limit this loss and increase the residence time of the NPK solute, one could apply the solute without first supplying water, the day before and the day after the date of solute’ injection. Or, one could amend the soil with organic matter to improve its retention capacity of water, and the solutes’ residence time in the soil.