Transport of aggregating nanoparticles in porous media

Author(s):  
Vasileios Katzourakis ◽  
Constantinos Chrysikopoulos

<p> </p><p>A   novel   mathematical   model   was   developed   to   describe   the   transport   of nanoparticles in water saturated, homogeneous porous media with uniform flow. The model accounts for the simultaneous migration and aggregation of nanoparticles. The nanoparticles can  be found suspended  in the  aqueous phase  or attached  reversibly and/or   irreversibly   onto   the   solid   matrix.   The  Derjaguin-Landau-Verwey-Overbeek (DLVO)  theory   was   used   to   account   for   possible   repulsive   interactions   between aggregates allowing for both reaction-limited aggregation (RLA), and diffusion-limited aggregation (DLA) cases to be considered.   The governing coupled partial differential equations were solved initially by employing adaptive operator splitting methods, which decoupled   the   reactive   transport   and   aggregation   into   distinct   physical   processes. Subsequently, the resulting equations were treated individually with proper use of either a finite difference scheme or a specialized ordinary differential equations solver. The results from various model simulations showed that the transport of nanoparticles inporous media is substantially different than the transport of conventional biocolloids. In particular,   aggregation   was   shown   to   either   decrease   or   increase   nano particle attachment   onto   the   solid   matrix   and   to   yield  either  early   or  retarded  breakthrough. Finally,   useful   conclusions   were   drawn   regarding   the   particle   distribution   density   at various points in time and space.</p>

1995 ◽  
pp. 71-76
Author(s):  
M. Suzuki ◽  
X. Hu ◽  
N. Hatano ◽  
M. Katori ◽  
K. Minami ◽  
...  

2009 ◽  
Vol 423 ◽  
pp. 75-82 ◽  
Author(s):  
Liz Añez ◽  
Juan Primera ◽  
Anwar Hasmy ◽  
Pedro Franceschini ◽  
Néstor Sánchez ◽  
...  

This study introduces a method for a computational calculus of the Elasticity Modulus (E) of simulated porous media using the Monte Carlo technique. The porous media of known geometry is simulated as an elastic network of central forces, to which a known deformation is applied. The minimum strain energy is calculated applying the Monte Carlo technique. The Elasticity Modulus is obtained from the theoretical relations between the elastic energy of a system and its deformation. The computational method is validated by applying it in systems of known analytic solution and over porous media generated through aggregation algorithm in two dimensions i.e. Random Sequential Aggregation and Diffusion Limited Cluster-Cluster Aggregation (RSA and DLCA respectively). The latter used to simulate the structure of silica aerogels. As for the range of concentrations studied for the DLCA and RSA systems, it was found that the elasticity modulus E decreases as the porosity of the system increases, being the E value higher for the DLCA system with respect to RSA. The method used is able to differentiate the elastic properties for two different aggregation models. Being E values different for equal porosities, the coordination number (Z) was the geometric parameter that best explains the behavior of the Elasticity Modulus.


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