scholarly journals The impact of nanoparticle aggregation on their size exclusion during transport in porous media: One- and three-dimensional modelling investigations

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Peyman Babakhani
Keyword(s):  
Porous Media ◽  
Transport Model ◽  
Three Dimensional ◽  
Breakthrough Curves ◽  
Engineered Nanoparticles ◽  
Acceleration Factor ◽  
Size Exclusion ◽  
Residual Concentration ◽  
Injection Point ◽  
The Impact

Abstract Greater particle mobility in subsurface environments due to larger size, known as size exclusion, has been responsible for colloid-facilitated transport of groundwater contaminants. Although size exclusion is not expected for primary engineered nanoparticles (NP), they can grow in size due to aggregation, thereby undergoing size exclusion. To investigate this hypothesis, an accurate population balance modelling approach and other colloid transport theories, have been incorporated into a three-dimensional transport model, MT3D-USGS. Results show that incorporating aggregation into the transport model improves the predictivity of current theoretical and empirical approaches to NP deposition in porous media. Considering an artificial size-variable acceleration factor in the model, NP breakthrough curves display an earlier arrival when aggregation is included than without. Disregarding the acceleration factor, aggregation enhances NP mobility at regions close to the injection point at a field scale and causes their retention at greater distances through alteration of their diffusivities, secondary interaction-energy minima, and settling behaviour. This results in a change of residual concentration profiles from exponential for non-aggregating dispersions to non-monotonic for aggregating dispersions. Overall, aggregation, hitherto believed to hinder the migration of NP in subsurface porous media, may under certain physicochemical conditions enhance their mobilities and deliver them to further distances.

scholarly journals Model sensitivity studies of the decrease in atmospheric carbon tetrachloride

2016 ◽  
Vol 16 (24) ◽  
pp. 15741-15754 ◽  
Author(s):  
Martyn P. Chipperfield ◽  
Qing Liang ◽  
Matthew Rigby ◽  
Ryan Hossaini ◽  
Stephen A. Montzka ◽  
...  
Keyword(s):  
Carbon Tetrachloride ◽  
Transport Model ◽  
Three Dimensional ◽  
Montreal Protocol ◽  
Chemical Transport Model ◽  
Uncertainty Range ◽  
The Past ◽  
Systematic Biases ◽  
Lifetime Uncertainty ◽  
The Impact

Abstract. Carbon tetrachloride (CCl4) is an ozone-depleting substance, which is controlled by the Montreal Protocol and for which the atmospheric abundance is decreasing. However, the current observed rate of this decrease is known to be slower than expected based on reported CCl4 emissions and its estimated overall atmospheric lifetime. Here we use a three-dimensional (3-D) chemical transport model to investigate the impact on its predicted decay of uncertainties in the rates at which CCl4 is removed from the atmosphere by photolysis, by ocean uptake and by degradation in soils. The largest sink is atmospheric photolysis (74 % of total), but a reported 10 % uncertainty in its combined photolysis cross section and quantum yield has only a modest impact on the modelled rate of CCl4 decay. This is partly due to the limiting effect of the rate of transport of CCl4 from the main tropospheric reservoir to the stratosphere, where photolytic loss occurs. The model suggests large interannual variability in the magnitude of this stratospheric photolysis sink caused by variations in transport. The impact of uncertainty in the minor soil sink (9 % of total) is also relatively small. In contrast, the model shows that uncertainty in ocean loss (17 % of total) has the largest impact on modelled CCl4 decay due to its sizeable contribution to CCl4 loss and large lifetime uncertainty range (147 to 241 years). With an assumed CCl4 emission rate of 39 Gg year−1, the reference simulation with the best estimate of loss processes still underestimates the observed CCl4 (overestimates the decay) over the past 2 decades but to a smaller extent than previous studies. Changes to the rate of CCl4 loss processes, in line with known uncertainties, could bring the model into agreement with in situ surface and remote-sensing measurements, as could an increase in emissions to around 47 Gg year−1. Further progress in constraining the CCl4 budget is partly limited by systematic biases between observational datasets. For example, surface observations from the National Oceanic and Atmospheric Administration (NOAA) network are larger than from the Advanced Global Atmospheric Gases Experiment (AGAGE) network but have shown a steeper decreasing trend over the past 2 decades. These differences imply a difference in emissions which is significant relative to uncertainties in the magnitudes of the CCl4 sinks.

scholarly journals THREE-DIMENSIONAL GEOLOGICAL MODELING OF OIL SATURATION OF PRODUCTIVE OIL RESERVOIR BASED ON LEVERETT J-FUNCTION

2016 ◽  
pp. 7-10
Author(s):  
Ya. O. Antipin
Keyword(s):  
Porous Media ◽  
Transition Zone ◽  
Reliable Method ◽  
Three Dimensional ◽  
Hydrodynamic Modeling ◽  
Oil Reservoirs ◽  
Oil Reservoir ◽  
Geological Modeling ◽  
Oil Saturation ◽  
The Impact

The author suggests and describes the most optimal, reliable method for modeling saturation of the productive oil reservoirs The method takes into account the impact of capillary forces in porous media, water-oil transition zone. This method most fully meets the modern requirements of threedimensional geological and hydrodynamic modeling.

scholarly journals Predicting the impact of future oil-spill closures on fishery-dependent communities—a spatially explicit approach

2019 ◽  
Author(s):  
Igal Berenshtein ◽  
Shay O’Farrell ◽  
Natalie Perlin ◽  
James N Sanchirico ◽  
Steven A Murawski ◽  
...  
Keyword(s):  
Oil Spill ◽  
Oil Spills ◽  
Transport Model ◽  
Gulf Coast ◽  
Three Dimensional ◽  
Management Tool ◽  
Spatially Explicit ◽  
Oil Transport ◽  
Fishing Fleets ◽  
The Impact

Abstract Major oil spills immensely impact the environment and society. Coastal fishery-dependent communities are especially at risk as their fishing grounds are susceptible to closure because of seafood contamination threat. During the Deepwater Horizon (DWH) disaster for example, vast areas of the Gulf of Mexico (GoM) were closed for fishing, resulting in coastal states losing up to a half of their fishery revenues. To predict the effect of future oil spills on fishery-dependent communities in the GoM, we develop a novel framework that combines a state-of-the-art three-dimensional oil-transport model with high-resolution spatial and temporal data for two fishing fleets—bottom longline and bandit-reel—along with data on the social vulnerability of coastal communities. We demonstrate our approach by simulating spills in the eastern and western GoM, calibrated to characteristics of the DWH spill. We find that the impacts of the eastern and western spills are strongest in the Florida and Texas Gulf coast counties respectively both for the bandit-reel and the bottom longline fleets. We conclude that this multimodal spatially explicit quantitative framework is a valuable management tool for predicting the consequences of oil spills at locations throughout the Gulf, facilitating preparedness and efficient resource allocation for future oil-spill events.

scholarly journals Heterogeneous reaction of HO<sub>2</sub> with airborne TiO<sub>2</sub> particles and its implication for climate change mitigation strategies

2017 ◽  
Author(s):  
Daniel R. Moon ◽  
Giorgio S. Taverna ◽  
Clara Anduix-Canto ◽  
Trevor Ingham ◽  
Martyn P. Chipperfield ◽  
...  
Keyword(s):  
Transport Model ◽  
Heterogeneous Reaction ◽  
Three Dimensional ◽  
Mitigation Strategies ◽  
Heterogeneous Reactions ◽  
Chemical Transport Model ◽  
Flow Tube ◽  
Tio2 Particles ◽  
The Impact ◽  
Change Mitigation

Abstract. One geoengineering mitigation strategy for global temperature rises resulting from the increased concentrations of greenhouse gases is to inject particles into the stratosphere to scatter solar radiation back to space, with TiO2 particles emerging as a possible candidate. Uptake coefficients of HO2, γ(HO2), onto sub-micrometre TiO2 particles were measured at room temperature and different relative humidities (RH) using an atmospheric pressure aerosol flow tube coupled to a sensitive HO2 detector. Values of γ(HO2) increased from 0.021 ± 0.001 to 0.036 ± 0.007 as the RH was increased from 11 % to 66 %, and the increase in γ(HO2) correlated with the number of monolayers of water surrounding the TiO2 particles. The impact of the uptake of HO2 onto TiO2 particles on stratospheric concentrations of HO2 and O3 was simulated using the TOMCAT three-dimensional chemical transport model. The model showed that by injecting the amount of TiO2 required to achieve the same cooling effect as the Mt. Pinatubo eruption, heterogeneous reactions between HO2 and TiO2 would have a negligible effect on stratospheric concentrations of HO2 and O3.

scholarly journals The contribution of natural and anthropogenic very short-lived species to stratospheric bromine

2012 ◽  
Vol 12 (1) ◽  
pp. 371-380 ◽  
Author(s):  
R. Hossaini ◽  
M. P. Chipperfield ◽  
W. Feng ◽  
T. J. Breider ◽  
E. Atlas ◽  
...  
Keyword(s):  
Transport Model ◽  
Three Dimensional ◽  
Chemical Transport Model ◽  
Atmospheric Lifetime ◽  
Tropical Tropopause Layer ◽  
Mixing Ratios ◽  
Tropical Tropopause ◽  
Atmospheric Observations ◽  
Surface Mixing ◽  
The Impact

Abstract. We have used a global three-dimensional chemical transport model to quantify the impact of the very short-lived substances (VSLS) CHBr3, CH2Br2, CHBr2Cl, CHBrCl2, CH2BrCl and C2H5-Br on the bromine budget of the stratosphere. Atmospheric observations of these gases allow constraints on surface mixing ratios that, when incorporated into our model, contribute ~4.9–5.2 parts per trillion (ppt) of inorganic bromine (Bry) to the stratosphere. Of this total, ~76 % comes from naturally-emitted CHBr3 and CH2Br2. The remaining species individually contribute modest amounts. However, their accumulated total accounts for up to ~1.2 ppt of the supply and thus should not be ignored. We have compared modelled tropical profiles of a range of VSLS with observations from the recent 2009 NSF HIPPO-1 aircraft campaign. Modelled profiles agree reasonably well with observations from the surface to the lower tropical tropopause layer. We have also considered the poorly studied anthropogenic VSLS, C2H5Br, CH2BrCH2Br, n-C3H7Br and i-C3H7Br. We find the local atmospheric lifetime of these species in the tropical tropopause layer are ~183, 603, 39 and 49 days, respectively. These species, particularly C2H5Br and CH2BrCH2Br, would thus be important carriers of bromine to the stratosphere if emissions were to increase substantially. Our model shows ~70–73 % and ~80–85 % of bromine from these species in the tropical boundary layer can reach the lower stratosphere.

scholarly journals On the ability of chemical transport models to simulate the vertical structure of the N<sub>2</sub>O, NO<sub>2</sub> and HNO<sub>3</sub> species in the mid-latitude stratosphere

2005 ◽  
Vol 5 (6) ◽  
pp. 12373-12401
Author(s):  
G. Berthet ◽  
N. Huret ◽  
F. Lefèvre ◽  
G. Moreau ◽  
C. Robert ◽  
...  
Keyword(s):  
Transport Model ◽  
Three Dimensional ◽  
Chemical Transport ◽  
Chemical Transport Model ◽  
Transport Models ◽  
One Dimensional ◽  
Chemical Transport Models ◽  
Dimensional Version ◽  
The Impact

Abstract. In this paper we study the impact of the modelling of N2O on the simulation of NO2 and HNO3 by comparing in situ vertical profiles measured at mid-latitudes with the results of the Reprobus 3-D CTM (Three-dimensional Chemical Transport Model) computed with the kinetic parameters from the JPL recommendation in 2002. The analysis of the measured in situ profile of N2O shows particular features indicating different air mass origins. The measured N2O, NO2 and HNO3 profiles are not satisfyingly reproduced by the CTM when computed using the current 6-hourly ECMWF operational analysis. Improving the simulation of N2O transport allows us to calculate quantities of NO2 and HNO3 in reasonable agreement with observations. This is achieved using 3-hourly winds obtained from ECMWF forecasts. The best agreement is obtained by constraining a one-dimensional version of the model with the observed N2O. This study shows that modelling the NOy partitioning with better accuracy relies at least on a correct simulation of N2O and thus of total NOy.

scholarly journals THE IMPACT OF BARRIER ISLAND DEGRADATION ON HURRICANE-INDUCED SEDIMENT TRANSPORT

2018 ◽  
pp. 49
Author(s):  
Ke Liu ◽  
Qin Chen ◽  
Kelin Hu
Keyword(s):  
Sediment Transport ◽  
Storm Surge ◽  
Coastal Wetland ◽  
Transport Model ◽  
Three Dimensional ◽  
Barrier Islands ◽  
Coastal Morphology ◽  
Major Barrier ◽  
Barataria Bay ◽  
The Impact

Hurricanes are recognized as a strong forcing in changing coastal morphology by redistributing sediments. Barrier islands protect estuaries from storm surge and severe waves and confine water and sediment discharge into estuaries during a hurricane event. In this study, we developed a three-dimensional, fully coupled storm surge, waves, and sediment transport model. The impacts of barrier islands degradation on hurricane hydrodynamics and sediment dynamics were evaluated by comparing a hypothetical model configuration for four major barrier islands in Terrebonne Bay and Barataria Bay against a baseline configuration. With the hypothetical deterioration of barrier islands, model results showed that the sediment transport from the shelf to the estuary increased in Terrebonne Bay but decreased in Barataria Bay. In the simulations, most of the deposition on coastal wetland still originated from the bay even when the barrier islands were degraded.

scholarly journals Mid-latitude ozone changes: studies with a 3-D CTM forced by ERA-40 analyses

2007 ◽  
Vol 7 (9) ◽  
pp. 2357-2369 ◽  
Author(s):  
W. Feng ◽  
M. P. Chipperfield ◽  
M. Dorf ◽  
K. Pfeilsticker ◽  
P. Ricaud
Keyword(s):  
Transport Model ◽  
Three Dimensional ◽  
Chemical Transport ◽  
Positive Anomaly ◽  
Small Decrease ◽  
Chemical Transport Model ◽  
Abrupt Changes ◽  
Column Ozone ◽  
The Impact

Abstract. We have used an off-line three-dimensional (3-D) chemical transport model (CTM) to study long-term changes in stratospheric O3. The model was run from 1977–2004 and forced by ECMWF ERA-40 and operational analyses. Model runs were performed to examine the impact of increasing halogens and additional stratospheric bromine from short-lived source gases. The analyses capture much of the observed interannual variability in column ozone, but there are also unrealistic features. In particular the ERA-40 analyses cause a large positive anomaly in northern hemisphere (NH) column O3 in the late 1980s. Also, the change from ERA-40 to operational winds at the start of 2002 introduces abrupt changes in some model fields (e.g. temperature, ozone) which affect analysis of trends. The model reproduces the observed column increase in NH mid-latitudes from the mid 1990s. Analysis of a run with fixed halogens shows that this increase is not due to a significant decrease in halogen-induced loss, i.e. is not an indication of recovery. The model predicts only a small decrease in halogen-induced loss after 1999. In the upper stratosphere, despite the modelled turnover of chlorine around 1999, O3 does not increase because of the effects of increasing ECMWF temperatures, decreasing modelled CH4 at this altitude, and abrupt changes in the SH temperatures at the end of the ERA-40 period. The impact of an additional 5 pptv stratospheric bromine from short-lived species decreases mid-latitude column O3 by about 10 DU. However, the impact on the modelled relative O3 anomaly is generally small except during periods of large volcanic loading.

scholarly journals On the ability of chemical transport models to simulate the vertical structure of the N<sub>2</sub>O, NO<sub>2</sub> and HNO<sub>3</sub> species in the mid-latitude stratosphere

2006 ◽  
Vol 6 (6) ◽  
pp. 1599-1609 ◽  
Author(s):  
G. Berthet ◽  
N. Huret ◽  
F. Lefèvre ◽  
G. Moreau ◽  
C. Robert ◽  
...  
Keyword(s):  
Transport Model ◽  
Three Dimensional ◽  
Chemical Transport ◽  
Chemical Transport Model ◽  
Transport Models ◽  
One Dimensional ◽  
Chemical Transport Models ◽  
Dimensional Version ◽  
The Impact

Abstract. In this paper we study the impact of the modelling of N2O on the simulation of NO2 and HNO3 by comparing in situ vertical profiles measured at mid-latitudes with the results of the Reprobus 3-D CTM (Three-dimensional Chemical Transport Model) computed with the kinetic parameters from the JPL recommendation in 2002. The analysis of the measured in situ profile of N2O shows particular features indicating different air mass origins. The measured N2O, NO2 and HNO3 profiles are not satisfyingly reproduced by the CTM when computed using the current 6-hourly ECMWF operational analysis. Improving the simulation of N2O transport allows us to calculate quantities of NO2 and HNO3 in reasonable agreement with observations. This is achieved using 3-hourly winds obtained from ECMWF forecasts. The best agreement is obtained by constraining a one-dimensional version of the model with the observed N2O. This study shows that the modelling of the NOy partitioning with better accuracy relies at least on a correct simulation of N2O and thus of total NOy.

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