15,084 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
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
DNA electrophoresis studied with the cage model
The cage model for polymer reptation, proposed by Evans and Edwards, and its
recent extension to model DNA electrophoresis, are studied by numerically exact
computation of the drift velocities for polymers with a length L of up to 15
monomers. The computations show the Nernst-Einstein regime (v ~ E) followed by
a regime where the velocity decreases exponentially with the applied electric
field strength. In agreement with de Gennes' reptation arguments, we find that
asymptotically for large polymers the diffusion coefficient D decreases
quadratically with polymer length; for the cage model, the proportionality
coefficient is DL^2=0.175(2). Additionally we find that the leading correction
term for finite polymer lengths scales as N^{-1/2}, where N=L-1 is the number
of bonds.Comment: LaTeX (cjour.cls), 15 pages, 6 figures, added correctness proof of
kink representation approac
Dielectrophoresis of nanocolloids: a molecular dynamics study
Dielectrophoresis (DEP), the motion of polarizable particles in non-uniform
electric fields, has become an important tool for the transport, separation,
and characterization of microparticles in biomedical and nanoelectronics
research. In this article we present, to our knowledge, the first molecular
dynamics simulations of DEP of nanometer-sized colloidal particles. We
introduce a simplified model for polarizable nanoparticles, consisting of a
large charged macroion and oppositely charged microions, in an explicit
solvent. The model is then used to study DEP motion of the particle at
different combinations of temperature and electric field strength. In accord
with linear response theory, the particle drift velocities are shown to be
proportional to the DEP force. Analysis of the colloid DEP mobility shows a
clear time dependence, demonstrating the variation of friction under
non-equilibrium. The time dependence of the mobility further results in an
apparent weak variation of the DEP displacements with temperature
Electrokinetic Lattice Boltzmann solver coupled to Molecular Dynamics: application to polymer translocation
We develop a theoretical and computational approach to deal with systems that
involve a disparate range of spatio-temporal scales, such as those comprised of
colloidal particles or polymers moving in a fluidic molecular environment. Our
approach is based on a multiscale modeling that combines the slow dynamics of
the large particles with the fast dynamics of the solvent into a unique
framework. The former is numerically solved via Molecular Dynamics and the
latter via a multi-component Lattice Boltzmann. The two techniques are coupled
together to allow for a seamless exchange of information between the
descriptions. Being based on a kinetic multi-component description of the fluid
species, the scheme is flexible in modeling charge flow within complex
geometries and ranging from large to vanishing salt concentration. The details
of the scheme are presented and the method is applied to the problem of
translocation of a charged polymer through a nanopores. In the end, we discuss
the advantages and complexities of the approach
Gel Electrophoresis of DNA Knots in Weak and Strong Electric Fields
Gel electrophoresis allows to separate knotted DNA (nicked circular) of equal
length according to the knot type. At low electric fields, complex knots being
more compact, drift faster than simpler knots. Recent experiments have shown
that the drift velocity dependence on the knot type is inverted when changing
from low to high electric fields. We present a computer simulation on a lattice
of a closed, knotted, charged DNA chain drifting in an external electric field
in a topologically restricted medium. Using a simple Monte Carlo algorithm, the
dependence of the electrophoretic migration of the DNA molecules on the type of
knot and on the electric field intensity was investigated. The results are in
qualitative agreement with electrophoretic experiments done under conditions of
low and high electric fields: especially the inversion of the behavior from low
to high electric field could be reproduced. The knot topology imposes on the
problem the constrain of self-avoidance, which is the final cause of the
observed behavior in strong electric field.Comment: 17 pages, 5 figure
Overcharging of DNA in the presence of salt: Theory and Simulation
A study of a model rod-like polyelectrolyte molecule immersed into a
monovalent or divalent electrolyte is presented. Results from the
hypernetted-chain/mean spherical approximation (HNC/MSA) theory, for
inhomogeneous charged fluids, {\ch are} compared with molecular dynamics (MD)
simulations. As a particular case, the parameters of the polyelectrolyte
molecule are mapped to those of a DNA molecule. An excellent qualitative, and
in some cases quantitative, agreement between HNC/MSA and MD is found. Both,
HNC/MSA and MD, predict the occurrence of overcharging, which is not present in
the Poisson-Boltzmann theory. Mean electrostatic potential and local
concentration profiles, -potential and charge distribution functions are
obtained and discussed in terms of the observed overcharging effect.
Particularly interesting results are a very non-monotonic behavior of the
-potential, as a function of the rod charge density, and the
overcharging by {\em monovalent} counterions.Comment: 11 pages, 8 figures, RevTex, published in J. Phys. Chem. B 2001, vol.
105, pags. 1098
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