14 research outputs found
Hard-core Yukawa model for two-dimensional charge stabilized colloids
The hyper-netted chain (HNC) and Percus-Yevick (PY) approximations are used
to study the phase diagram of a simple hard-core Yukawa model of
charge-stabilized colloidal particles in a two-dimensional system. We calculate
the static structure factor and the pair distribution function over a wide
range of parameters. Using the statics correlation functions we present an
estimate for the liquid-solid phase diagram for the wide range of the
parameters.Comment: 7 pages, 9figure
Theory of asymmetric non-additive binary hard-sphere mixtures
We show that the formal procedure of integrating out the degrees of freedom
of the small spheres in a binary hard-sphere mixture works equally well for
non-additive as it does for additive mixtures. For highly asymmetric mixtures
(small size ratios) the resulting effective Hamiltonian of the one-component
fluid of big spheres, which consists of an infinite number of many-body
interactions, should be accurately approximated by truncating after the term
describing the effective pair interaction. Using a density functional treatment
developed originally for additive hard-sphere mixtures we determine the zero,
one, and two-body contribution to the effective Hamiltonian. We demonstrate
that even small degrees of positive or negative non-additivity have significant
effect on the shape of the depletion potential. The second virial coefficient
, corresponding to the effective pair interaction between two big spheres,
is found to be a sensitive measure of the effects of non-additivity. The
variation of with the density of the small spheres shows significantly
different behavior for additive, slightly positive and slightly negative
non-additive mixtures. We discuss the possible repercussions of these results
for the phase behavior of binary hard-sphere mixtures and suggest that
measurements of might provide a means of determining the degree of
non-additivity in real colloidal mixtures
Confirmation of Anomalous Dynamical Arrest in attractive colloids: a molecular dynamics study
Previous theoretical, along with early simulation and experimental, studies
have indicated that particles with a short-ranged attraction exhibit a range of
new dynamical arrest phenomena. These include very pronounced reentrance in the
dynamical arrest curve, a logarithmic singularity in the density correlation
functions, and the existence of `attractive' and `repulsive' glasses. Here we
carry out extensive molecular dynamics calculations on dense systems
interacting via a square-well potential. This is one of the simplest systems
with the required properties, and may be regarded as canonical for interpreting
the phase diagram, and now also the dynamical arrest. We confirm the
theoretical predictions for re-entrance, logarithmic singularity, and give the
first direct evidence of the coexistence, independent of theory, of the two
coexisting glasses. We now regard the previous predictions of these phenomena
as having been established.Comment: 15 pages,15 figures; submitted to Phys. Rev.
Phase behavior of a simple model for membrane proteins
We report a numerical simulation of the phase diagram of a simple model for membrane proteins constrained to move in a plane. In analogy with the corresponding three-dimensional models, the liquid–gas transition becomes metastable as the range of attraction decreases. Spontaneous crystallization happens much more readily in the two-dimensional models rather than in their three-dimensional counterparts
Molecular basis for dimethylsulfoxide (DMSO) Action on Lipid Membrances
NoDimethylsulfoxide (DMSO) is an aprotic solvent that has the ability to induce cell fusion and cell differentiation and enhance the permeability of lipid membranes. It is also an effective cryoprotectant. Insights into how this molecule modulates membrane structure and function would be invaluable toward regulating the above processes and for developing chemical means for enhancing or hindering the absorption of biologically active molecules, in particular into or via the skin. We show here by means of molecular simulations that DMSO can induce water pores in dipalmitoyl-phosphatidylcholine bilayers and propose this to be a possible pathway for the enhancement of penetration of actives through lipid membranes. DMSO also causes the membrane to become floppier, which would enhance permeability, facilitate membrane fusion, and enable the cell membrane to accommodate osmotic and mechanical stresses during cryopreservation