Hysteresis of liquid adsorption in porous media by coarse-grained Monte Carlo with direct experimental validation

2016 ◽  
Vol 144 (17) ◽  
pp. 174709 ◽  
Author(s):  
Benjamin D. Zeidman ◽  
Ning Lu ◽  
David T. Wu
1997 ◽  
Vol 08 (06) ◽  
pp. 1335-1343
Author(s):  
Prabal K. Maiti ◽  
Debashish Chowdhury

We present a numerical scheme for Monte Carlo Simulation (MC) of ternary microemulsions, which consist of oil, water and surfactants, confined inside a porous medium such as vycor glass. The model porous medium has been created using the Cell Dynamical Scheme (CDS) while the microemulsion has been modeled following the Larson prescription.


Author(s):  
Gabriela Hul ◽  
Marianne Seijo ◽  
Fabrice Carnal ◽  
Geert Cornelis ◽  
Serge Stoll

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...


2019 ◽  
Vol 21 (9) ◽  
pp. 5123-5132 ◽  
Author(s):  
J. Hernández-Rojas ◽  
F. Calvo

The aggregation and physical growth of polycyclic aromatic hydrocarbon molecules was simulated using a coarse-grained potential and a stochastic Monte Carlo framework. In agreement with earlier studies, homomolecular nucleation of pyrene, coronene and circumcoronene is found to be limited at temperatures in the 500–1000 K range. Heteromolecular nucleation is found to occur with a minor spontaneous segregation toward pure and equi concentrations.


2007 ◽  
Vol 46 (3) ◽  
pp. 215-220 ◽  
Author(s):  
Kenichi Tanaka ◽  
Satoru Endo ◽  
Shin Toyoda ◽  
Eldana Tieliewuhan ◽  
Alex Romanyukha ◽  
...  

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