dc.contributor.author
Roy, Sutapa
dc.contributor.author
Dietrich, S.
dc.contributor.author
Hofling, Felix
dc.date.accessioned
2018-06-08T10:26:09Z
dc.date.available
2016-12-09T13:14:02.157Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/20438
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-23741
dc.description.abstract
The dynamic and static critical behavior of a family of binary Lennard-Jones
liquid mixtures, close to their continuous demixing points (belonging to the
so-called model H′ dynamic universality class), are studied computationally by
combining semi-grand canonical Monte Carlo simulations and large-scale
molecular dynamics (MD) simulations, accelerated by graphic processing units
(GPU). The symmetric binary liquid mixtures considered cover a variety of
densities, a wide range of compressibilities, and various interactions between
the unlike particles. The static quantities studied here encompass the bulk
phase diagram (including both the binodal and the λ-line), the correlation
length, and the concentration susceptibility, of the finite-sized systems
above the bulk critical temperature Tc, the compressibility and the pressure
at Tc. Concerning the collective transport properties, we focus on the Onsager
coefficient and the shear viscosity. The critical power-law singularities of
these quantities are analyzed in the mixed phase (above Tc) and non-universal
critical amplitudes are extracted. Two universal amplitude ratios are
calculated. The first one involves static amplitudes only and agrees well with
the expectations for the three-dimensional Ising universality class. The
second ratio includes also dynamic critical amplitudes and is related to the
Einstein–Kawasaki relation for the interdiffusion constant. Precise estimates
of this amplitude ratio are difficult to obtain from MD simulations, but
within the error bars our results are compatible with theoretical predictions
and experimental values for model H′. Evidence is reported for an inverse
proportionality of the pressure and the isothermal compressibility at the
demixing transition, upon varying either the number density or the repulsion
strength between unlike particles.
en
dc.rights.uri
http://publishing.aip.org/authors/web-posting-guidelines
dc.subject.ddc
500 Naturwissenschaften und Mathematik::530 Physik
dc.title
Structure and dynamics of binary liquid mixtures near their continuous
demixing transitions
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation
J. Chem. Phys. - 145 (2016), Artikel Nr. 134505
dcterms.bibliographicCitation.doi
10.1063/1.4963771
dcterms.bibliographicCitation.url
http://dx.doi.org/10.1063/1.4963771
refubium.affiliation
Physik
de
refubium.mycore.fudocsId
FUDOCS_document_000000026004
refubium.resourceType.isindependentpub
no
refubium.mycore.derivateId
FUDOCS_derivate_000000007424
dcterms.accessRights.openaire
open access