Melting transition of confined Lennard-Jones solids in slit pores

2013 ◽  
Vol 132 (4) ◽  
Author(s):  
Chandan K. Das ◽  
Jayant K. Singh
Keyword(s):  
Melting Transition ◽  
Lennard Jones ◽  
Slit Pores

Poiseuille flow of Lennard-Jones fluids in narrow slit pores

2000 ◽  
Vol 112 (4) ◽  
pp. 1984-1994 ◽  
Author(s):  
Karl P. Travis ◽  
Keith E. Gubbins
Keyword(s):  
Poiseuille Flow ◽  
Narrow Slit ◽  
Lennard Jones ◽  
Slit Pores

Melting transition of Lennard-Jones fluid in cylindrical pores

2014 ◽  
Vol 140 (20) ◽  
pp. 204703 ◽  
Author(s):  
Chandan K. Das ◽  
Jayant K. Singh
Keyword(s):  
Melting Transition ◽  
Lennard Jones ◽  
Cylindrical Pores

Melting Transition of Lennard-Jones Molecules

1967 ◽  
Vol 160 (1) ◽  
pp. 259-262 ◽  
Author(s):  
V. Nardi ◽  
J. K. Percus
Keyword(s):  
Melting Transition ◽  
Lennard Jones

scholarly journals Adsorption and interfacial phenomena of a Lennard-Jones fluid adsorbed in slit pores: DFT and GCMC simulations

2018 ◽  
Vol 116 (21-22) ◽  
pp. 3417-3424
Author(s):  
J. M. Míguez ◽  
P. Gómez-Álvarez ◽  
M. M. Piñeiro ◽  
B. Mendiboure ◽  
F. J. Blas
Keyword(s):  
Interfacial Phenomena ◽  
Lennard Jones ◽  
Gcmc Simulations ◽  
Slit Pores

scholarly journals Pore-Width-Dependent Preferential Interaction of sp2Carbon Atoms in Cyclohexene with Graphitic Slit Pores by GCMC Simulation

2011 ◽  
Vol 2011 ◽  
pp. 1-7 ◽  
Author(s):  
Natsuko Kojima ◽  
Tomonori Ohba ◽  
Yasuhiko Urabe ◽  
Hirofumi Kanoh ◽  
Katsumi Kaneko
Keyword(s):  
Pore Wall ◽  
Graphitic Carbon ◽  
Pore Width ◽  
Preferential Interaction ◽  
Lennard Jones ◽  
Molecular Arrangement ◽  
Gcmc Simulation ◽  
The Difference ◽  
Slit Pores ◽  
Grand Canonical

The adsorption of cyclohexene with two sp2and four sp3carbon atoms in graphitic slit pores was studied by performing grand canonical Monte Carlo simulation. The molecular arrangement of the cyclohexene on the graphitic carbon wall depends on the pore width. The distribution peak of the sp2carbon is closer to the pore wall than that of the sp3carbon except for the pore width of 0.7 nm, even though the Lennard-Jones size of the sp2carbon is larger than that of the sp3carbon. Thus, the difference in the interactions of the sp2and sp3carbon atoms of cyclohexene with the carbon pore walls is clearly observed in this study. The preferential interaction of sp2carbon gives rise to a slight tilting of the cyclohexene molecule against the graphitic wall. This is suggestive of a π-π interaction between the sp2carbon in the cyclohexene molecule and graphitic carbon.

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