scholarly journals Effect of Deposition, Detachment and Aggregation Processes on Nanoparticle Transport in Porous Media using Monte Carlo Simulations

2021 ◽  
Author(s):  
Gabriela Hul ◽  
Marianne Seijo ◽  
Fabrice Carnal ◽  
Geert Cornelis ◽  
Serge Stoll
Keyword(s):  
Porous Media ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Particle Tracking ◽  
Monte Carlo Model ◽  
Three Dimensional ◽  
Engineered Nanoparticles ◽  
Coarse Grained ◽  
Nanoparticle Transport ◽  
Aggregation Processes

A novel off-lattice three-dimensional coarse-grained Monte Carlo model is developed to study engineered nanoparticles (ENPs) behavior in porous media. Based on individual particle tracking and on the assumption that different...

EFFECTIVE THERMAL CONDUCTIVITY OF POROUS MEDIA WITH ROUGHENED SURFACES BY FRACTAL-MONTE CARLO SIMULATIONS

Fractals ◽  
2020 ◽  
Vol 28 (02) ◽  
pp. 2050029 ◽  
Author(s):  
BOQI XIAO ◽  
SHUAI WANG ◽  
YAN WANG ◽  
GUOPING JIANG ◽  
YIDAN ZHANG ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Porous Media ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Effective Thermal Conductivity ◽  
Structural Parameters ◽  
Monte Carlo Model ◽  
Maximum Diameter ◽  
Empirical Constant ◽  
Relative Roughness

In this paper, the Fractal-Monte Carlo has been employed to simulate the effective thermal conductivity of porous media with roughened surfaces. The proposed probability model for the effective thermal conductivity of porous media with roughened surfaces can be expressed as a function of the relative roughness, porosity, minimum and maximum diameter of pores, fractal dimensions, and random number. The proposed model is validated by a satisfying agreement of our Fractal-Monte Carlo simulations and the experimental data. In our Fractal-Monte Carlo model, there is no extra empirical constant and each parameter has clear physical meaning. Then, the effects of micro-structural parameters of porous media on the effective thermal conductivity of porous media with roughened surfaces have been analyzed in detail. It can be found that the effective thermal conductivity of porous media with roughened surfaces decreases with the increase of relative roughness and tortuosity fractal dimension. Our results demonstrate that the proposed Fractal-Monte Carlo model can be used to characterize other transport properties such as mass transfer of porous media.

Coarse Grained End Bridging Monte Carlo Simulations of Poly(ethylene terephthalate) Melt

2007 ◽  
Vol 40 (3) ◽  
pp. 710-722 ◽  
Author(s):  
Kazunori Kamio ◽  
Krzysztof Moorthi ◽  
Doros N. Theodorou
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ethylene Terephthalate ◽  
Coarse Grained ◽  
Poly Ethylene Terephthalate ◽  
Poly Ethylene

scholarly journals Clusters Formed by Dumbbell-like One-Patch Particles Confined in Thin Systems

2021 ◽  
Author(s):  
Masahide Sato
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Particle Interaction ◽  
Three Dimensional ◽  
The Other ◽  
Spherical Particles ◽  
Dimensionless Distance ◽  
Large Island ◽  
Cluster Shape

Abstract Performing isothermal-isochoric Monte Carlo simulations, I examine the types of clusters that dumbbell-like one–patch particles form in thin space between two parallel walls, assuming that each particle is synthesized through the merging of two particles, one non-attracting and the other attracting for which, for example, the inter-particle interaction is approximated by the DLVO model. The shape of these dumbbell-like particles is controlled by the ratio of the diameters q of the two spherical particles and by the dimensionless distance l between them. Using a modified Kern–Frenkel potential, I examine the dependence of the cluster shape on l and q. Large island-like clusters are created when q < 1. With increasing q, the clusters become chain-like. When q increases further, elongated clusters and regular polygonal clusters are created. In hte simulations, the cluster shape becomes three-dimensional with increasing l because the thickness of the thin system increases proportionally to l.

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