Transport phenomena and microscopic structure in partially miscible binary fluids: A simulation study of the symmetrical Lennard-Jones mixture
نویسندگان
چکیده
منابع مشابه
Transport phenomena and microscopic structure in partially miscible binary fluids: A simulation study of the symmetrical Lennard-Jones mixture
Static and dynamic structure factors and various transport coefficients are computed for a Lennard-Jones model of a binary fluid (A,B) with a symmetrical miscibility gap, varying both temperature and relative concentration of the mixture. The model is first equilibrated by a semi-grandcanonical Monte Carlo method, choosing the temperature and chemical potential difference ∆μ between the two spe...
متن کاملThe bulk viscosity of a symmetrical Lennard–Jones mixture above and at liquid–liquid coexistence: A computer simulation study
Abstract A Lennard–Jones model of a binary dense liquid (A,B) with a symmetrical miscibility gap is investigated by means of computer simulation methods. Semigrand–canonical Monte Carlo simulations yield the phase diagram in the T–x plane (T : temperature, x: concentration of A or B particles) as well as equilibrated configurations at coexistence. Then Molecular Dynamics simulations use these c...
متن کاملStructure diagram of binary Lennard-Jones clusters.
We analyze the structure diagram for binary clusters of Lennard-Jones particles by means of a global optimization approach for a large range of cluster sizes, compositions, and interaction energies and present a publicly accessible database of 180 000 minimal energy structures (http://softmattertheory.lu/clusters.html). We identify a variety of structures such as core-shell clusters, Janus clus...
متن کاملAnisotropic Lennard-Jones fluids in a nanochannel
During the past few decades molecular dynamics has been a widely applied tool to simulate fluid confined in micro/nano geometries. What makes interfacial fluids fundamentally different from the bulk fluid is the fact that their density varies considerably over microscopic distances. A class of such strongly inhomogeneous fluids are fluids confined in very narrow channels by solid boundaries. In...
متن کاملPhase diagrams of Lennard-Jones fluids
Smit and Frenkel’ have shown that the phase diagram of the two-dimensional Lennard-Jones fluid depends largely on the details of the truncation of the potential. In this Note, Gibbs-ensemble calculations are reported for the three-dimensional Lennard-Jones fluid. As expected, the phase diagram for this system also depends significantly on the details of the truncation. The Lennard-Jones potenti...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2003
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1580106