Canonical and microcanonical Monte Carlo simulations of lattice-gas mixtures

2006 ◽  
Vol 125 (16) ◽  
pp. 164509 ◽  
Author(s):  
Carlos E. Fiore ◽  
Vera B. Henriques ◽  
Mario J. de Oliveira
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Lattice Gas ◽  
Gas Mixtures

scholarly journals Molecular Simulations of CO2/CH4, CO2/N2 and N2/CH4 Binary Mixed Hydrates

2021 ◽  
Vol 83 (3) ◽  
pp. 372-378
Author(s):  
A. A. Sizova ◽  
S. A. Grintsevich ◽  
M. A. Kochurin ◽  
V. V. Sizov ◽  
E. N. Brodskaya
Keyword(s):  
Carbon Dioxide ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Gas Hydrates ◽  
Molecular Simulations ◽  
Gas Mixtures ◽  
Gas Mixture ◽  
Grand Canonical Monte Carlo ◽  
Multicomponent Gas ◽  
Grand Canonical

Abstract Grand canonical Monte Carlo simulations were performed to study the occupancy of structure I multicomponent gas hydrates by CO2/CH4, CO2/N2, and N2/CH4 binary gas mixtures with various compositions at a temperature of 270 K and pressures up to 70 atm. The presence of nitrogen in the gas mixture allows for an increase of both the hydrate framework selectivity to CO2 and the amount of carbon dioxide encapsulated in hydrate cages, as compared to the CO2/CH4 hydrate. Despite the selectivity to CH4 molecules demonstrated by N2/CH4 hydrate, nitrogen can compete with methane if the gas mixture contains at least 70% of N2.

scholarly journals Computing bubble-points of CO2/CH4 gas mixtures in ionic liquids from Monte Carlo simulations

2016 ◽  
Vol 418 ◽  
pp. 100-107 ◽  
Author(s):  
Mahinder Ramdin ◽  
Sayee Prasaad Balaji ◽  
José Manuel Vicent-Luna ◽  
Ariana Torres-Knoop ◽  
Qu Chen ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Ionic Liquids ◽  
Monte Carlo Simulations ◽  
Gas Mixtures

scholarly journals Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures

2017 ◽  
Vol 44 (5) ◽  
pp. 377-383 ◽  
Author(s):  
M. Ramdin ◽  
S. H. Jamali ◽  
T. M. Becker ◽  
T. J. H. Vlugt
Keyword(s):  
Monte Carlo ◽  
Natural Gas ◽  
Monte Carlo Simulations ◽  
Gas Mixtures ◽  
Gibbs Ensemble ◽  
Ensemble Monte Carlo ◽  
Gibbs Ensemble Monte Carlo

The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study

2015 ◽  
Vol 17 (5) ◽  
pp. 3050-3058 ◽  
Author(s):  
O. A. Pinto ◽  
P. M. Pasinetti ◽  
A. J. Ramirez-Pastor ◽  
F. D. Nieto
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Binary Mixtures ◽  
Lattice Gas ◽  
Monte Carlo Study ◽  
Lattice Gas Model ◽  
Grand Canonical Monte Carlo ◽  
Lateral Interactions ◽  
Additive Interactions ◽  
Grand Canonical

The adsorption of binary mixtures with non-additive lateral interactions has been studied through grand canonical Monte Carlo simulations in the framework of the lattice-gas model.

Fractal Aggregation Simulation in the Nanofluid Drying

2011 ◽  
Author(s):  
A. Crivoi ◽  
Fei Duan
Keyword(s):  
Thin Film ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Lattice Gas ◽  
Two Dimensional ◽  
Dimensional Lattice ◽  
Thin Film Evaporation ◽  
Film Evaporation ◽  
Branched Structures ◽  
Good Agreement

Nanofluids are kinds of fluids engineered by dispersing nanoparticles in base fluids. After full evaporation drying of nanofluids, the nanoparticles are left on the substrate and can self-organize in different structures on the substrate. The fractal-like branched structures can be formed, these phenomena are simulated in the study. Two dimensional lattice-gas model is applied in the process of the residual thin film evaporation drying. The Monte Carlo simulations show the formation of well-developed fractal aggregates for this configuration. The results of simulations are in good agreement with previously reported experimental results in residual nanofluid thin-film drying.

scholarly journals Wetting of a solid surface by active matter

Soft Matter ◽  
2021 ◽  
Author(s):  
P. D. Neta ◽  
M. Tasinkevych ◽  
M. M. Telo da Gama ◽  
C. S. Dias
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Phase Boundary ◽  
Solid Surface ◽  
Lattice Gas ◽  
Kinetic Monte Carlo ◽  
Lattice Gas Model ◽  
Active Matter ◽  
Kinetic Monte Carlo Simulations ◽  
Wetting Film

Kinetic Monte Carlo simulations of an active lattice gas model indicate that the wetting film diverges in the whole range of activities considered, i.e. that the solid surface is always wet at the MIPS phase boundary.

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