Partitioned density functional approach for a Lennard-Jones fluid

2003 ◽  
Vol 68 (6) ◽  
Author(s):  
Shiqi Zhou
Keyword(s):  
Density Functional ◽  
Functional Approach ◽  
Lennard Jones

Influence of a small amount of tethered chains on wetting transitions: A density functional approach

2010 ◽  
Vol 75 (2) ◽  
pp. 221-241 ◽  
Author(s):  
Małgorzata Borówko ◽  
Andrzej Patrykiejew ◽  
Stefan Sokołowski ◽  
Tomasz Staszewski
Keyword(s):  
Density Functional ◽  
Functional Approach ◽  
Solid Surfaces ◽  
Wetting Transitions ◽  
Jones Potential ◽  
Lennard Jones ◽  
Layering Transitions ◽  
Gas Molecules ◽  
Surface Modified ◽  
Tethered Chains

A density functional approach to adsorption and phase behavior of a simple fluid from gas phase on a surface modified with a small amount of grafted chains is presented. The chains are modeled as freely jointed tangent spheres with end segments attached to the surface. The segments and gas molecules interact via the Lennard–Jones potential. We have found that the presence of preadsorbed chains considerably affects wettability of solid surfaces. An increase in the amount of grafted chains leads to a crossover between prewetting and layering transitions. This crossover occurs by merging of successive layering transitions.

Phase behaviour of a Lennard-Jones fluid in a pore with permeable walls of a finite thickness: a density functional approach

1999 ◽  
Vol 96 (10) ◽  
pp. 1509-1516 ◽  
Author(s):  
PAWEŁ BRYK ◽  
ANDRZEJ PATRYKIEJEW ◽  
JOANNA RESZKO-ZYGMUNT ◽  
STEFAN SOKOŁOWSKI
Keyword(s):  
Density Functional ◽  
Finite Thickness ◽  
Functional Approach ◽  
Phase Behaviour ◽  
Lennard Jones ◽  
Permeable Walls

Nucleation of Lennard‐Jones fluids: A density functional approach

1996 ◽  
Vol 105 (15) ◽  
pp. 6517-6524 ◽  
Author(s):  
Yu Chen Shen ◽  
David W. Oxtoby
Keyword(s):  
Density Functional ◽  
Functional Approach ◽  
Lennard Jones

A new density functional approach to nonuniform Lennard-Jones fluids

2000 ◽  
Vol 112 (11) ◽  
pp. 5242-5243 ◽  
Author(s):  
Shiqi Zhou ◽  
Eli Ruckenstein
Keyword(s):  
Density Functional ◽  
Functional Approach ◽  
Lennard Jones
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