Liquid-liquid phase separation of binary Lennard-Jones fluid in slit nanopores
نویسندگان
چکیده
منابع مشابه
Vapour-liquid coexistence of an active Lennard-Jones fluid.
We study a three-dimensional system of self-propelled Lennard-Jones particles using Brownian dynamics simulations. Using recent theoretical results for active matter, we calculate the pressure and report equations of state for the system. Additionally, we chart the vapour-liquid coexistence and show that the coexistence densities can be well described using simple power laws. Lastly, we demonst...
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Molecular dynamics simulation has been performed to analyze the effect of the presence of gold nanoparticle on dynamics of Kob-Anderson binary Lennard-Jones (BLJ) mixture upon supercooling within the framework of the mode coupling theory of the dynamic glass transition. The presence of gold nanoparticle has a direct effect on the liquid structure and causes the peaks of the radial distribution ...
متن کاملTHE DENSITY PROFILES OF A LENNARD -JONES FLUID CONFINED TO A SLIT
The structure of fluids confined by planar walls is studied using density functional theory. The density functional used is a generalized form of the hypernetted chain (HNC) functional which contains a term third order in the density. This term is chosen to ensure that the modified density functional gives the correct bulk pressure. The proposed density functional applied to a Lennard-Jones...
متن کاملDynamical Heterogeneities in a Supercooled Lennard-Jones Liquid
Walter Kob,1 Claudio Donati,2 Steven J. Plimpton,3 Peter H. Poole,4 and Sharon C. Glotzer2 1Institut für Physik, Johannes Gutenberg-Universität, Staudinger Weg 7, D-55099 Mainz, Germany 2Center for Theoretical and Computational Materials Science, and Polymers Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 3Parallel Computational Sciences Department, Sandi...
متن کاملSuper-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect.
On short time scales an underlying Arrhenius temperature dependence of the diffusion constant can be extracted from the fragile, super-Arrhenius diffusion of a binary Lennard-Jones mixture. This Arrhenius diffusion is related to the true super-Arrhenius behavior by a factor that depends on the average angle between steps in successive time windows. The correction factor accounts for the fact th...
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ژورنال
عنوان ژورنال: Adsorption
سال: 2008
ISSN: 0929-5607,1572-8757
DOI: 10.1007/s10450-008-9121-1