Transport Diffusion
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2021 ◽  
Author(s):  
Xueran Wu ◽  
Hendrik Elbern ◽  
Birgit Jacob

Abstract In predictive geophysical model systems, uncertain initial values and model parameters jointly influence the temporal evolution of the system. As for chemistry-transport models, emission rates are at least as important as initial values for model evolution controls. This renders initial-value-only optimization by traditional data assimilation methods as insufficient. However, blindly extending the optimization parameter set jeopardizes the validity of the resulting analysis since the ill-posedness of the inversion task is increased. Hence, it becomes important to assess the potential observability of measurement networks for model state and parameters in atmospheric modelings in advance of the optimization. In this paper, we introduce an approach to quantify the impact of observation networks jointly for initial trace gas state and emission rates for transport-diffusion models extended by emissions. Applying a Kalman smoother as underlying assimilation technique, we develop a quantitative assessment method to evaluate the potential observability and the sensitivity of observation networks to initial values and emission rates. For practical applications, we derive an ensemble based version of the approach and give several elementary experiments for illustration.


Langmuir ◽  
2021 ◽  
Author(s):  
Cornelius O. Audu ◽  
David Chen ◽  
Chung-Wei Kung ◽  
Randall Q. Snurr ◽  
SonBinh T. Nguyen ◽  
...  

2021 ◽  
pp. 11-16
Author(s):  
Rusudan Golyatina ◽  
Sergei Maiorov

Consideration is given to the analysis of data on the cross sections of elastic and inelastic col-lisions of electrons with noble gas atoms. The transport (diffusion) cross section, the excita-tion and ionization cross sections are studied. For the selected sets of experimental and theo-retical data, optimal analytical formulas are found and approximation coefficients are select-ed for them. The obtained semi-empirical formulas allow us to reproduce the cross section values in a wide range of collision energies from 0.001 to 10000 eV with an accuracy of sev-eral percent.


Water ◽  
2021 ◽  
Vol 13 (11) ◽  
pp. 1525
Author(s):  
Christian Ferrarin ◽  
Pierluigi Penna ◽  
Antonella Penna ◽  
Vedrana Spada ◽  
Fabio Ricci ◽  
...  

The aim of this study is to develop a relocatable modelling system able to describe the microbial contamination that affects the quality of coastal bathing waters. Pollution events are mainly triggered by urban sewer outflows during massive rainy events, with relevant negative consequences on the marine environment and tourism and related activities of coastal towns. A finite element hydrodynamic model was applied to five study areas in the Adriatic Sea, which differ for urban, oceanographic and morphological conditions. With the help of transport-diffusion and microbial decay modules, the distribution of Escherichia coli was investigated during significant events. The numerical investigation was supported by detailed in situ observational datasets. The model results were evaluated against water level, sea temperature, salinity and E. coli concentrations acquired in situ, demonstrating the capacity of the modelling suite in simulating the circulation in the coastal areas of the Adriatic Sea, as well as several main transport and diffusion dynamics, such as riverine and polluted waters dispersion. Moreover, the results of the simulations were used to perform a comparative analysis among the different study sites, demonstrating that dilution and mixing, mostly induced by the tidal action, had a stronger effect on bacteria reduction with respect to microbial decay. Stratification and estuarine dynamics also play an important role in governing microbial concentration. The modelling suite can be used as a beach management tool for improving protection of public health, as required by the EU Bathing Water Directive.


2021 ◽  
Author(s):  
Mostafa Sefidgar ◽  
M Soltani ◽  
Kaamran Raahemifar ◽  
Hossein Bazmara ◽  
Seyed Mojtaba Mousavi Nayinian ◽  
...  

Background The computational methods provide condition for investigation related to the process of drug delivery, such as convection and diffusion of drug in extracellular matrices, drug extravasation from microvessels or to lymphatic vessels. The information of this process clarifies the mechanisms of drug delivery from the injection site to absorption by a solid tumor. In this study, an advanced numerical method is used to solve fluid flow and solute transport equations simultaneously to investigate the effect of tumor shape and size on drug delivery to solid tumor. Methods The advanced mathematical model used in our previous work is further developed by adding solute transport equation to the governing equations. After applying appropriate boundary and initial conditions on tumor and surrounding tissue geometry, the element-based finite volume method is used for solving governing equations of drug delivery in solid tumor. Also, the effects of size and shape of tumor and some of tissue transport parameters such as effective pressure and hydraulic conductivity on interstitial fluid flow and drug delivery are investigated. Results Sensitivity analysis shows that drug delivery in prolate shape is significantly better than other tumor shapes. Considering size effect, increasing tumor size decreases drug concentration in interstitial fluid. This study shows that dependency of drug concentration in interstitial fluid to osmotic and intravascular pressure is negligible. Conclusions This study shows that among diffusion and convection mechanisms of drug transport, diffusion is dominant in most different tumor shapes and sizes. In tumors in which the convection has considerable effect, the drug concentration is larger than that of other tumors at the same time post injection.


2021 ◽  
Author(s):  
Mostafa Sefidgar ◽  
M Soltani ◽  
Kaamran Raahemifar ◽  
Hossein Bazmara ◽  
Seyed Mojtaba Mousavi Nayinian ◽  
...  

Background The computational methods provide condition for investigation related to the process of drug delivery, such as convection and diffusion of drug in extracellular matrices, drug extravasation from microvessels or to lymphatic vessels. The information of this process clarifies the mechanisms of drug delivery from the injection site to absorption by a solid tumor. In this study, an advanced numerical method is used to solve fluid flow and solute transport equations simultaneously to investigate the effect of tumor shape and size on drug delivery to solid tumor. Methods The advanced mathematical model used in our previous work is further developed by adding solute transport equation to the governing equations. After applying appropriate boundary and initial conditions on tumor and surrounding tissue geometry, the element-based finite volume method is used for solving governing equations of drug delivery in solid tumor. Also, the effects of size and shape of tumor and some of tissue transport parameters such as effective pressure and hydraulic conductivity on interstitial fluid flow and drug delivery are investigated. Results Sensitivity analysis shows that drug delivery in prolate shape is significantly better than other tumor shapes. Considering size effect, increasing tumor size decreases drug concentration in interstitial fluid. This study shows that dependency of drug concentration in interstitial fluid to osmotic and intravascular pressure is negligible. Conclusions This study shows that among diffusion and convection mechanisms of drug transport, diffusion is dominant in most different tumor shapes and sizes. In tumors in which the convection has considerable effect, the drug concentration is larger than that of other tumors at the same time post injection.


2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Longmei Zhai ◽  
Xiaomin Wang ◽  
Dan Tang ◽  
Qi Qi ◽  
Huseyin Yer ◽  
...  

AbstractsGrafting is a highly useful technique, and its success largely depends on graft union formation. In this study, we found that root-specific expression of the auxin biosynthetic gene iaaM in tobacco, when used as rootstock, resulted in more rapid callus formation and faster graft healing. However, overexpression of the auxin-inactivating iaaL gene in rootstocks delayed graft healing. We observed increased endogenous auxin levels and auxin-responsive DR5::GUS expression in scions of WT/iaaM grafts compared with those found in WT/WT grafts, which suggested that auxin is transported upward from rootstock to scion tissues. A transcriptome analysis showed that auxin enhanced graft union formation through increases in the expression of genes involved in graft healing in both rootstock and scion tissues. We also observed that the ethylene biosynthetic gene ACS1 and the ethylene-responsive gene ERF5 were upregulated in both scions and rootstocks of the WT/iaaM grafts. Furthermore, exogenous applications of the ethylene precursor ACC to the junction of WT/WT grafts promoted graft union formation, whereas application of the ethylene biosynthesis inhibitor AVG delayed graft healing in WT/WT grafts, and the observed delay was less pronounced in the WT/iaaM grafts. These results demonstrated that elevated auxin levels in the iaaM rootstock in combination with the increased auxin levels in scions caused by upward transport/diffusion enhanced graft union formation and that ethylene was partially responsible for the effects of auxin on grafting. Our findings showed that grafting success can be enhanced by increasing the auxin levels in rootstocks using transgenic or gene-editing techniques.


2021 ◽  
Author(s):  
Peter Huszar ◽  
Jan Karlicky ◽  
Jana Markova ◽  
Tereza Novakova ◽  
Marina Liaskoni ◽  
...  

<p>Urban canopies impact the meteorological conditions in the planetary boundary layer (PBL) and above in many ways: apart from urban heat island effect, the urban breeze circulation can form. Further, the enhanced drag causes intensification of the turbulent diffusion leading to elevated PBL height and this drag, at the same time causes lower windspeeds. These changes together act as a 'meteorological forcing' for the chemical processes involing transport, diffusion and chemical transformation of urban pollutants in the urban canopy and over larger scales, therefor we use the term urban canopy meteorological forcing (UCMF). Using regional scale coupled chemistry-climate models over central Europe (involving models RegCM, CAMx and WRF-Chem),  we investigate here how the UCMF influences the urban emissions and their dispersion into regional scales. The analysis covers key pollutants as O<sub>3</sub>, NO<sub>2</sub> and PM2.5 and the 2015-2016 period. </p><p>While urban emissions contribute by about 60-80% to the total NO<sub>2</sub> and PM2.5 concentrations in cities, for ozone, they cause decrease in the urban cores and slight increase over sourrounding rural areas. More importantly, we found that if UCMF is considered, the impacts on all three pollutants are reduced, by about 20-30%. This is caused by the fact that vertical turbulence is greatly enhanced in urban areas leading to reduced fingerprint of the urban emissions (the case of NO<sub>2</sub> and PM2.5) while in case of O<sub>3</sub>, reduction of the NO<sub>2</sub> impact means smaller first-order titraltion therefor higher ozone concentrations - i.e. the ozone fingerprint of urban emissions is smaller. Our analysis showed that for evaluating the impact of urban emissions over regional scales, the meterological effects caused by the urban canopy have to be considered in modeling studies.</p>


2021 ◽  
Author(s):  
Theresa Hennig ◽  
Michael Kühn

<p>Safety of a nuclear waste repository is based to a large extent on the isolation of the radioactive waste within a suitable host rock. Clay rocks provide an option due to their very low hydraulic conductivity only allowing diffusive transport. Diffusion processes in clay formations are complex due to the diffuse double layers (DDL) enveloping the clay minerals to compensate their net surface charge and the associated different migration behaviour for cationic, anionic and neutral species. Therefore, determination of the speciation of an element in the porewater is essential to quantify migration lengths precisely. Safety assessments are based on numerical simulations to cover time periods of up to one million years and thus the predominant species of a radionuclide, dependent on the stability constants within the law of mass action, might be signififcant.</p><p>In the present study, we use uranium, one of the main components in spent fuel, as an example for the diffusion in the Swiss Opalinus Clay, a potential host rock for the storage of nuclear waste. In the geochemical system, uranium is mainly present as U(VI) in ternary uranyl complexes with calcium and carbonate, whereby speciation depends on the selected thermodynamic data (Hennig et al., 2020). For instance, the stability constants for the neutral uranyl complex Ca<sub>2</sub>UO<sub>2</sub>(CO<sub>3</sub>)<sub>3</sub> differ slightly in literature. Depending on the selected one, either the neutral or the anionic complex CaUO<sub>2</sub>(CO<sub>3</sub>)<sub>3</sub><sup>2-</sup> is the predominant species in the system with an associated varying interaction with the DDL of the clay minerals. With our one-dimensional, multi-component diffusion models we quantified the effect of the selected stability constant on the diffusion length for the host rock scale.</p><p>The chemistry in the porewater of the three facies of the Opalinus Clay, shaly, sandy and carbonate-rich, plays a key role for the sorption processes (Hennig et al., 2020) as well as for the composition and thickness of the DDL and therewith the diffusive transport. Based on our results, we show, that the influence of the predominant uranium species on the migration lengths varies between the individual facies, but is overall negligible for the host rock scale. Consequently, a stability constant is not decisive for the required thickness of the host rock as geological barrier.</p><p> </p><p>Hennig, T.; Stockmann, M.; Kühn, M. Simulation of diffusive uranium transport and sorption processes in the Opalinus Clay. Applied Geochemistry 2020, 123. doi:10.1016/j.apgeochem.2020.104777.</p>


Mathematics ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 207
Author(s):  
Tareq Saeed ◽  
Ibrahim A. Abbas

In the present article, the generalized thermoelastic wave model with and without energy dissipation under fractional time derivative is used to study the physical field in porous two-dimensional media. By applying the Fourier-Laplace transforms and eigenvalues scheme, the physical quantities are presented analytically. The surface is shocked by heating (pulsed heat flow problem) and application of free traction on its outer surface (mechanical conditions) by the process of temperature transport (diffusion) to observe the full analytical solutions of the main physical fields. The magnesium (Mg) material is used to make the simulations and obtain numerical outcomes. The basic physical field quantities are graphed and discussed. Comparisons are made in the results obtained under the strong (SC), the weak (WC) and the normal (NC) conductivities.


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