scholarly journals A Modified HYDRUS Model for Simulating PFAS Transport in the Vadose Zone

Water ◽  
2020 ◽  
Vol 12 (10) ◽  
pp. 2758 ◽  
Author(s):  
Jeff Allen Kai Silva ◽  
Jiří Šimůnek ◽  
John E. McCray

The HYDRUS unsaturated flow and transport model was modified to simulate the effects of non-linear air-water interfacial (AWI) adsorption, solution surface tension-induced flow, and variable solution viscosity on the unsaturated transport of per- and polyfluoroalkyl substances (PFAS) within the vadose zone. These modifications were made and completed between March 2019 and May 2019, and were implemented into both the one-dimensional (1D) and two-dimensional (2D) versions of HYDRUS. Herein, the model modifications are described and validated against the available literature-derived PFAS transport data (i.e., 1D experimental column transport data). The results of both 1D and 2D example simulations are presented to highlight the function and utility of the model to capture the dynamic and transient nature of the temporally and spatially variable interfacial area of the AWI (Aaw) as it changes with soil moisture content (Θw) and how it affects PFAS unsaturated transport. Specifically, the simulated examples show that while AWI adsorption of PFAS can be a significant source of retention within the vadose zone, it is not always the dominant source of retention. The contribution of solid-phase sorption can be considerable in many PFAS-contaminated vadose zones. How the selection of an appropriate Aaw(Θw) function can impact PFAS transport and how both mechanisms contribute to PFAS mass flux to an underlying groundwater source is also demonstrated. Finally, the effects of soil textural heterogeneities on PFAS unsaturated transport are demonstrated in the results of both 1D and 2D example simulations.

Author(s):  
Hang Liu ◽  
Jianyong Lai ◽  
Yi Li ◽  
Yulong Zhang ◽  
Minghao Liu ◽  
...  

Abstract In relation to the modeling of the one-dimensional interfacial area transport equation for an adiabatic bubbly flow in a vertical rod bundle, some existing models of sink and source terms were reviewed and evaluated. Based on the reviewed interaction mechanisms of bubbles and turbulent eddies, a new interfacial area transport model has been proposed. Two important impacts on bubble interaction have been taken into account in the new model: the effects of spacer grids with mixing vanes and the impacts of geometry structure. The spacer grids breakup large bubbles into small bubbles resulting in enhanced bubble random collision at the downstream of the spacer grids. Void transport is the main contribution between spacer grids. The new interfacial area transport model has been evaluated against the obtained experimental data in 17 bubbly flow conditions. The results indicate that the new model can predict the interfacial area concentration with the relative error of 19.9%. It is recognized that the proposed model is promising for predicting the interfacial area concentration for a bubbly flow in a rod bundle.


1992 ◽  
Vol 23 (2) ◽  
pp. 89-104 ◽  
Author(s):  
Ole H. Jacobsen ◽  
Feike J. Leij ◽  
Martinus Th. van Genuchten

Breakthrough curves of Cl and 3H2O were obtained during steady unsaturated flow in five lysimeters containing an undisturbed coarse sand (Orthic Haplohumod). The experimental data were analyzed in terms of the classical two-parameter convection-dispersion equation and a four-parameter two-region type physical nonequilibrium solute transport model. Model parameters were obtained by both curve fitting and time moment analysis. The four-parameter model provided a much better fit to the data for three soil columns, but performed only slightly better for the two remaining columns. The retardation factor for Cl was about 10 % less than for 3H2O, indicating some anion exclusion. For the four-parameter model the average immobile water fraction was 0.14 and the Peclet numbers of the mobile region varied between 50 and 200. Time moments analysis proved to be a useful tool for quantifying the break through curve (BTC) although the moments were found to be sensitive to experimental scattering in the measured data at larger times. Also, fitted parameters described the experimental data better than moment generated parameter values.


Energies ◽  
2021 ◽  
Vol 14 (7) ◽  
pp. 2030
Author(s):  
Marianna Jacyna ◽  
Renata Żochowska ◽  
Aleksander Sobota ◽  
Mariusz Wasiak

In recent years, policymakers of urban agglomerations in various regions of the world have been striving to reduce environmental pollution from harmful exhaust and noise emissions. Restrictions on conventional vehicles entering the inner city are being introduced and the introduction of low-emission measures, including electric ones, is being promoted. This paper presents a method for scenario analysis applied to study the reduction of exhaust emissions by introducing electric vehicles in a selected city. The original scenario analyses relating to real problems faced by contemporary metropolitan areas are based on the VISUM tool (PTV Headquarters for Europe: PTV Planung Transport Verkehr AG, 76131 Karlsruhe, Germany). For the case study, the transport model of the city of Bielsko-Biala (Poland) was used to conduct experiments with different forms of participation of electric vehicles on the one hand and traffic restrictions for high emission vehicles on the other hand. Scenario analyses were conducted for various constraint options including inbound, outbound, and through traffic. Travel time for specific transport relations and the volume of harmful emissions were used as criteria for evaluating scenarios of limited accessibility to city zones for selected types of vehicles. The comparative analyses carried out showed that the introduction of electric vehicles in the inner city resulted in a significant reduction in the emission of harmful exhaust compounds and, consequently, in an increase in the area of clean air in the city. The case study and its results provide some valuable insights and may guide decision-makers in their actions to introduce both driving ban restrictions for high-emission vehicles and incentives for the use of electric vehicles for city residents.


1998 ◽  
Vol 22 ◽  
pp. 306-308
Author(s):  
M. D. Carro ◽  
E. L. Miller

The estimation of rumen microbial protein synthesis is one of the main points in the nitrogen (N)-rationing systems for ruminants, as microbial protein provides proportionately 0.4 to 0.9 of amino acids entering the small intestine in ruminants receiving conventional diets (Russell et al., 1992). Methods of estimating microbial protein synthesis rely on marker techniques in which a particular microbial constituent is related to the microbial N content. Marker : N values have generally been established in mixed bacteria isolated from the liquid fraction of rumen digesta and it has been assumed that the same relationship holds in the total population leaving the rumen (Merry and McAllan, 1983). However, several studies have demonstrated differences in composition between solid-associated (SAB) and fluid-associated bacteria in vivo (Legay-Carmier and Bauchart, 1989) and in vitro (Molina Alcaide et al, 1996), as well in marker : N values (Pérez et al., 1996). This problem could be more pronounced in the in vitro semi-continuous culture system RUSITEC, in which there are three well defined components (a free liquid phase, a liquid phase associated with the solid phase and a solid phase), each one having associated microbial populations.The objective of this experiment was to investigate the effect of using different bacterial isolates (BI) on the estimation of microbial production of four different diets in RUSITEC (Czerkawski and Breckenridge, 1977), using (15NH4)2 SO4 as microbial marker, and to assess what effects any differences would have on the comparison of microbial protein synthesis between diets.This study was conducted in conjunction with an in vitro experiment described by Carro and Miller (1997). Two 14-day incubation trials were carried out with the rumen simulation technique RUSITEC (Czerkawski and Breckenridge, 1977). The general incubation procedure was the one described by Czerkawski and Breckenridge (1977) and more details about the procedures of this experiment are given elsewhere (Carro and Miller, 1997).


2006 ◽  
Vol 932 ◽  
Author(s):  
D. Jacques ◽  
J. Šimůnek ◽  
D. Mallants ◽  
M.Th. van Genuchten

ABSTRACTNaturally occurring radionuclides can also end up in soils and groundwater due to human practices, such as application of certain fertilizers in agriculture. Many mineral fertilizers, particularly (super)phosphates, contain small amounts of 238U and 230Th which eventually may be leached from agricultural soils to underlying water resources. Field soils that receive P-fertilizers accumulate U and Th and their daughter nuclides, which eventually may leach to groundwater. Our objective was to numerically assess U migration in soils. Calculations were based on a new reactive transport model, HP1, which accounts for interactions between U and organic matter, phosphate, and carbonate. Solid phase interactions were simulated using a surface complexation module. Furthermore, all geochemical processes were coupled with a model accounting for dynamic changes in the soil water content and the water flux. The capabilities of the code in calculating natural U fluxes to groundwater were illustrated using a semi-synthetic 200-year long time series of climatological data for Belgium. Based on an average fertilizer application, the input of phosphate and uranium in the soil was defined. This paper discusses calculated U distributions in the soil profile as well as calculated U fluxes leached from a 100-cm deep soil profile. The calculated long-term leaching rates originating from fertilization are significantly higher after 200 years than estimated release rates from lowlevel nuclear waste repositories.


Author(s):  
Deoras Prabhudharwadkar ◽  
Chris Bailey ◽  
Martin Lopez de Bertodano ◽  
John R. Buchanan

This paper describes in detail the assessment of the CFD code CFX to predict adiabatic liquid-gas two-phase bubbly flow. This study has been divided into two parts. In the first exercise, the effect of Lift Force, Wall Force and the Turbulent Diffusion Force have been assessed using experimental data from the literature for air-water upward bubbly flows through a pipe. The data used here had a characteristic near wall void peaking which was largely influenced by the joint action of the three forces mentioned above. The simulations were performed with constant bubble diameter assuming no bubble interactions. This exercise resulted in selection of the most appropriate closure form and closure coefficients for the above mentioned forces for the range of flow conditions chosen. In the second exercise, the One-Group Interfacial Area Transport equation was introduced in the two-fluid model of CFX. The interfacial area density plays important role in the correct prediction of interfacial mass, momentum and energy transfer and is affected by bubble breakup and coalescence processes in adiabatic flows. The One-Group Interfacial Area Transport Equation (IATE) has been developed and implemented for one-dimensional models and validated using cross-sectional area averaged experimental data over the last decade by various researchers. The original one-dimensional model has been extended to multidimensional flow predictions in this study and the results are presented in this paper. The paper also discusses constraints posed by the commercial CFD code CFX and the solutions worked out to obtain the most accurate implementation of the model.


2002 ◽  
Vol 713 ◽  
Author(s):  
Diana H. Bacon ◽  
B. Peter McGrail ◽  
Vicky L. Freedman ◽  
Giancarlo Ventura ◽  
Piero Risoluti ◽  
...  

ABSTRACTRecent advances in the development of reactive chemical transport simulators have made it possible to use these tools in performance assessments (PAs) for nuclear waste disposal. Reactive transport codes were used to evaluate the impacts of design modifications on the performance of two shallow subsurface disposal systems for low-level radioactive waste. The first disposal system, located at the Hanford site in Richland, Washington, is for disposal of lowlevel waste glass. Glass waste blocks will be disposed in subsurface trenches, surrounded by backfill material. Using different waste package sizes and layering had a small impact on technetium release rates to the vadose zone. The second disposal system involves a hypothetical repository for low-level waste in Italy. A model of uranium release from a grout waste form was developed using the STORM reactive transport code. Uranium is predicted to be relatively insoluble for several hundred years under the high-pH environment of the cement pore water. The effect of using different filler materials between the waste packages on uranium flux to the vadose zone proved to have a negligible impact on release rates.


2009 ◽  
Vol 9 (2) ◽  
pp. 6691-6737 ◽  
Author(s):  
S. Massart ◽  
C. Clerbaux ◽  
D. Cariolle ◽  
A. Piacentini ◽  
S. Turquety ◽  
...  

Abstract. The Infrared Atmospheric Sounding Interferometer (IASI) is one of the five European new generation instruments carried by the polar-orbiting MetOp-A satellite. Data assimilation is a powerful tool to combine these data with a numerical model. This paper presents the first steps made towards the assimilation of the total ozone columns from the IASI measurements into a chemistry transport model. The IASI ozone data used are provided by an inversion of radiances performed at the LATMOS (Laboratoire Atmosphères, Milieux, Observations Spatiales). As a contribution to the validation of this dataset, the LATMOS-IASI data are compared to a four dimensional ozone field, with low systematic and random errors compared to ozonesondes and OMI-DOAS data. This field results from the combined assimilation of ozone profiles from the MLS instrument and of total ozone columns from the SCIAMACHY instrument. It is found that on average, the LATMOS-IASI data tends to overestimate the total ozone columns by 2% to 8%. The random observation error of the LATMOS-IASI data is estimated to about 6%, except over polar regions and deserts where it is higher. Using this information, the LATMOS-IASI data are then assimilated, combined with the MLS data. This first LATMOS-IASI data assimilation experiment shows that the resulting analysis is quite similar to the one obtained from the combined MLS and SCIAMACHY data assimilation.


2018 ◽  
Vol 20 (6) ◽  
pp. 927-934 ◽  
Author(s):  
A. N. Glushkov ◽  
E. G. Polenok ◽  
L. A. Gordeeva ◽  
S. A. Mun ◽  
M. V. Kostyanko ◽  
...  

Previous studies reported some associations between class A antibodies specific for benzo[a]pyrene (IgA-Bp), estradiol (IgA-Es) and progesterone (IgA-Pg) and breast cancer (BC) in women like as with lung cancer (LC) in men. It was suggested that IgA-Bp and IgA-Es may stimulate tumor initiation and promotion, whereas IgA-Pg may inhibit the in vivo human carcinogenesis.The purpose of this study was to identify the suggested associations of such immunological imbalance with BC and LC in postmenopausal women.The serum A-class antibodies specific to benzo[a]pyrene, estradiol and progesterone (IgA-Bp, IgA-Es, IgA- Pg) were studied in 335 healthy women, 824 breast cancer (BC) patients and 127 cases of lung cancer (LC) by means of non-competitive solid phase immunoassay. The following results were obtained: Increased ratio of IgA-Bp and IgA-Es amounts exceeding the IgA-Pg levels was associated with a higher risk of breast cancer (OR = 2.8 and 2.4 respectively, p < 0.0001), and higher risk of LC (OR = 2.9 and 2.8, respectively, p < 0.0001). Conversely, the OR values decreased to 0.3-0.4 for BC and LC if IgA-Pg levels were higher than IgA-Bp and IgA-Es levels (p < 0.0001). These findings confirm the hypothesis that IgA-Bp and IgA-Es are capable to stimulate, and IgA-Pg, to inhibit the BC and LC occurrence n postmenopausal women. The balance between IgA-Bp and IgA-Es, on the one hand, and IgA-Pg, on the other hand, is much more important than individual contents of these antibodies.In conclusion, the phenomenon of “immunological interference” is revealed, i.e., the mutual enhancement of IgA-Bp and IgA-Es effects, thus, probably, stimulating the initial and subsequent events of carcinogenesis initiation and promotion, with a weak anticancer effect of IgA-Pg, and by weakening the mutual procarcinogenic effects of IgA-Bp and IgA-Es by the marked effect of IgA-Pg.


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