86 research outputs found
Colloidal electrophoresis: Scaling analysis, Green-Kubo relation, and numerical results
We consider electrophoresis of a single charged colloidal particle in a
finite box with periodic boundary conditions, where added counterions and salt
ions ensure charge neutrality. A systematic rescaling of the electrokinetic
equations allows us to identify a minimum set of suitable dimensionless
parameters, which, within this theoretical framework, determine the reduced
electrophoretic mobility. It turns out that the salt-free case can, on the Mean
Field level, be described in terms of just three parameters. A fourth
parameter, which had previously been identified on the basis of straightforward
dimensional analysis, can only be important beyond Mean Field. More complicated
behavior is expected to arise when further ionic species are added. However,
for a certain parameter regime, we can demonstrate that the salt-free case can
be mapped onto a corresponding system containing additional salt. The
Green-Kubo formula for the electrophoretic mobility is derived, and its
usefulness demonstrated by simulation data. Finally, we report on
finite-element solutions of the electrokinetic equations, using the commercial
software package COMSOL.Comment: To appear in Journal of Physics: Condensed Matter - special issue on
occasion of the CODEF 2008 conferenc
Ground state structure and interactions between dimeric 2D Wigner crystals
We study the ground state ordering and interactions between two
two-dimensional Wigner crystals on neutralizing charged plates by means of
computer simulation. We consider crystals formed by (i) point-like charges and
(ii) charged dimers, which mimic the screening of charged surfaces by elongated
multivalent ions such as aspherical globular proteins, charged dendrimers or
short stiff polyelectrolytes. Both systems, with point-like and dimeric ions,
display five distinct crystalline phases on increasing the interlayer distance.
In addition to alteration of translational ordering within the bilayer, the
phase transitions in the dimeric system are characterized by alteration of
orientational ordering of the ions.Comment: Revised versio
Density-dependent interactions and structure of charged colloidal dispersions in the weak screening regime
We determine the structure of charge-stabilized colloidal suspensions at low
ionic strength over an extended range of particle volume fractions using a
combination of light and small angle neutron scattering experiments. The
variation of the structure factor with concentration is analyzed within a
one-component model of a colloidal suspension. We show that the observed
structural behavior corresponds to a non-monotonic density dependence of the
colloid effective charge and the mean interparticle interaction energy. Our
findings are corroborated by similar observations from primitive model computer
simulations of salt-free colloidal suspensions.Comment: Revised version, accepted to Phys. Rev. Let
Numerical electrokinetics
A new lattice method is presented in order to efficiently solve the
electrokinetic equations, which describe the structure and dynamics of the
charge cloud and the flow field surrounding a single charged colloidal sphere,
or a fixed array of such objects. We focus on calculating the electrophoretic
mobility in the limit of small driving field, and systematically linearise the
equations with respect to the latter. This gives rise to several subproblems,
each of which is solved by a specialised numerical algorithm. For the total
problem we combine these solvers in an iterative procedure. Applying this
method, we study the effect of the screening mechanism (salt screening vs.
counterion screening) on the electrophoretic mobility, and find a weak
non-trivial dependence, as expected from scaling theory. Furthermore, we find
that the orientation of the charge cloud (i. e. its dipole moment) depends on
the value of the colloid charge, as a result of a competition between
electrostatic and hydrodynamic effects.Comment: accepted for publication in Journal of Physics Condensed Matter
(proceedings of the 2012 CODEF conference
Electrophoretic mobility of a charged colloidal particle: A computer simulation study
We study the mobility of a charged colloidal particle in a constant
homogeneous electric field by means of computer simulations. The simulation
method combines a lattice Boltzmann scheme for the fluid with standard Langevin
dynamics for the colloidal particle, which is built up from a net of bonded
particles forming the surface of the colloid. The coupling between the two
subsystems is introduced via friction forces. In addition explicit counterions,
also coupled to the fluid, are present. We observe a non-monotonous dependence
of the electrophoretic mobility on the bare colloidal charge. At low surface
charge density we observe a linear increase of the mobility with bare charge,
whereas at higher charges, where more than half of the ions are co-moving with
the colloid, the mobility decreases with increasing bare charge.Comment: 15 pages, 8 figure
Stick boundary conditions and rotational velocity auto-correlation functions for colloidal particles in a coarse-grained representation of the solvent
We show how to implement stick boundary conditions for a spherical colloid in
a solvent that is coarse-grained by the method of stochastic rotation dynamics.
This allows us to measure colloidal rotational velocity auto-correlation
functions by direct computer simulation. We find quantitative agreement with
Enskog theory for short times and with hydrodynamic mode-coupling theory for
longer times. For aqueous colloidal suspensions, the Enskog contribution to the
rotational friction is larger than the hydrodynamic one when the colloidal
radius drops below 35nm.Comment: new version with some minor change
Polarized Ukraine 2014: Opinion and Territorial Split Demonstrated with the Bounded Confidence XY Model, Parameterized by Twitter Data
Multiple countries have recently experienced extreme political polarization, which in some cases led to escalation of hate crime, violence and political instability. Beside the much discussed presidential elections in the United States and France, Britainâs Brexit vote and Turkish constitutional referendum, showed signs of extreme polarization. Among the countries affected, Ukraine faced some of the gravest consequences. In an attempt to understand the mechanisms of these phenomena, we here combine social media analysis with agent-based modeling of opinion dynamics, targeting Ukraineâs crisis of 2014. We use Twitter data to quantify changes in the opinion divide and parameterize an extended Bounded-Confidence XY Model, which provides a patiotemporal description of the polarization dynamics.We demonstrate that the level of emotional intensity is a major driving force for polarization that can lead to a spontaneous onset of collective behavior at a certain degree of homophily and conformity. We find that the critical level of emotional intensity corresponds to a polarization transition, marked by a sudden increase in the degree of involvement and in the opinion bimodality
Rejection-free Geometric Cluster Algorithm for Complex Fluids
We present a novel, generally applicable Monte Carlo algorithm for the
simulation of fluid systems. Geometric transformations are used to identify
clusters of particles in such a manner that every cluster move is accepted,
irrespective of the nature of the pair interactions. The rejection-free and
non-local nature of the algorithm make it particularly suitable for the
efficient simulation of complex fluids with components of widely varying size,
such as colloidal mixtures. Compared to conventional simulation algorithms,
typical efficiency improvements amount to several orders of magnitude
On the nature of long-range contributions to pair interactions between charged colloids in two dimensions
We perform a detailed analysis of solutions of the inverse problem applied to
experimentally measured two-dimensional radial distribution functions for
highly charged latex dispersions. The experiments are carried out at high
colloidal densities and under low-salt conditions. At the highest studied
densities, the extracted effective pair potentials contain long-range
attractive part. At the same time, we find that for the best distribution
functions available the range of stability of the solutions is limited by the
nearest neighbour distance between the colloidal particles. Moreover, the
measured pair distribution functions can be explained by purely repulsive pair
potentials contained in the stable part of the solution.Comment: 6 pages, 5 figure
Optimizing end-labeled free-solution electrophoresis by increasing the hydrodynamic friction of the drag-tag
We study the electrophoretic separation of polyelectrolytes of varying
lengths by means of end-labeled free-solution electrophoresis (ELFSE). A
coarse-grained molecular dynamics simulation model, using full electrostatic
interactions and a mesoscopic Lattice Boltzmann fluid to account for
hydrodynamic interactions, is used to characterize the drag coefficients of
different label types: linear and branched polymeric labels, as well as
transiently bound micelles.
It is specifically shown that the label's drag coefficient is determined by
its hydrodynamic size, and that the drag per label monomer is largest for
linear labels. However, the addition of side chains to a linear label offers
the possibility to increase the hydrodynamic size, and therefore the label
efficiency, without having to increase the linear length of the label, thereby
simplifying synthesis. The third class of labels investigated, transiently
bound micelles, seems very promising for the usage in ELFSE, as they provide a
significant higher hydrodynamic drag than the other label types.
The results are compared to theoretical predictions, and we investigate how
the efficiency of the ELFSE method can be improved by using smartly designed
drag-tags.Comment: 32 pages, 11 figures, submitted to Macromolecule
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