Phase Behavior of Binary Stockmayer and Polarizable Lennard-Jones Fluid Mixtures Using Adiabatic Nuclear and Electronic Sampling

2006 ◽  
Vol 45 (21) ◽  
pp. 6929-6938 ◽  
Author(s):  
Philip J. Lenart ◽  
Athanassios Z. Panagiotopoulos
Keyword(s):  
Phase Behavior ◽  
Fluid Mixtures ◽  
Lennard Jones

scholarly journals The Effect of Topology on Phase Behavior under Confinement

Processes ◽  
2021 ◽  
Vol 9 (7) ◽  
pp. 1220
Author(s):  
Arnout M. P. Boelens ◽  
Hamdi A. Tchelepi
Keyword(s):  
Phase Behavior ◽  
Density Functional ◽  
Capillary Condensation ◽  
Good Description ◽  
Functional Theory ◽  
Minkowski Functionals ◽  
First Order ◽  
Lennard Jones ◽  
And Topology ◽  
First Order Transition

This work studies how morphology (i.e., the shape of a structure) and topology (i.e., how different structures are connected) influence wall adsorption and capillary condensation under tight confinement. Numerical simulations based on classical density functional theory (cDFT) are run for a wide variety of geometries using both hard-sphere and Lennard-Jones fluids. These cDFT computations are compared to results obtained using the Minkowski functionals. It is found that the Minkowski functionals can provide a good description of the behavior of Lennard-Jones fluids down to small system sizes. In addition, through decomposition of the free energy, the Minkowski functionals provide a good framework to better understand what are the dominant contributions to the phase behavior of a system. Lastly, while studying the phase envelope shift as a function of the Minkowski functionals it is found that topology has a different effect depending on whether the phase transition under consideration is a continuous or a discrete (first-order) transition.

Phase behavior of Lennard-Jones fluids in pores formed between two cylindrical walls

2002 ◽  
Vol 208 (1-3) ◽  
pp. 199-209 ◽  
Author(s):  
J. Reszko-Zygmunt ◽  
W. Rżysko ◽  
S. Sokołowski ◽  
Z. Sokołowska
Keyword(s):  
Phase Behavior ◽  
Lennard Jones

scholarly journals Phase behavior of Lennard-Jones particles in two dimensions

2020 ◽  
Vol 102 (6) ◽  
Author(s):  
Yan-Wei Li ◽  
Massimo Pica Ciamarra
Keyword(s):  
Phase Behavior ◽  
Two Dimensions ◽  
Lennard Jones

Rapid method for the determination of phase behavior of fluid mixtures employed in supercritical fluid experiments

1993 ◽  
Vol 65 (10) ◽  
pp. 1493-1495 ◽  
Author(s):  
Steven H. Page ◽  
Hao. Yun ◽  
Milton L. Lee ◽  
Steven R. Goates
Keyword(s):  
Phase Behavior ◽  
Rapid Method ◽  
Supercritical Fluid ◽  
Fluid Mixtures
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