347 research outputs found
Strong-Coupling Theory for Counter-Ion Distributions
The Poisson-Boltzmann approach gives asymptotically exact counter-ion density
profiles around charged objects in the weak-coupling limit of low valency and
high temperature. In this paper we derive, using field-theoretic methods, a
theory which becomes exact in the opposite limit of strong coupling. Formally,
it corresponds to a standard virial expansion. Long-range divergences, which
render the virial expansion intractable for homogeneous bulk systems, are shown
to be renormalizable for the case of inhomogeneous distribution functions by a
systematic expansion in inverse powers of the coupling parameter. For a planar
charged wall, our analytical results compare quantitatively with extensive
Monte-Carlo simulations.Comment: 7 pages, 3 figures; to appear in Europhys. Let
Explosion Loading on Equipment from CFD Simulations
PresentationExplosion studies using computational fluid dynamics (CFD) are performed on daily basis among safety consultants all over the world. The purpose of the explosion studies is usually to give guidance on required design strength of equipment, piping, blast walls or buildings. One key element is to translate the results from an explosion simulation, into actual forces on equipment. Major weaknesses exist in the current approaches for estimation of loads on small and medium sized equipment. Hansen et al. (2014) demonstrated how loads on rectangular equipment could be estimated by combining free field form drag and pressure gradient. In the current work it is discussed how best to estimate loads onto other types of equipment including cylindrical pipes, pipe bundles and other shapes, and some comparisons and validation against large scale experiments are also included. The main findings of this work are the more accurate guidance on how best to extract explosion loads from simulations, including discussons on appropriate drag coefficients
Steric Effects in Electrolytes: A Modified Poisson-Boltzmann Equation
The adsorption of large ions from solution to a charged surface is
investigated theoretically. A generalized Poisson--Boltzmann equation, which
takes into account the finite size of the ions is presented. We obtain
analytical expressions for the electrostatic potential and ion concentrations
at the surface, leading to a modified Grahame equation. At high surface charge
densities the ionic concentration saturates to its maximum value. Our results
are in agreement with recent experiments.Comment: 4 pages, 2 figure
Hydration interactions: aqueous solvent effects in electric double layers
A model for ionic solutions with an attractive short-range pair interaction
between the ions is presented. The short-range interaction is accounted for by
adding a quadratic non-local term to the Poisson-Boltzmann free energy. The
model is used to study solvent effects in a planar electric double layer. The
counter-ion density is found to increase near the charged surface, as compared
with the Poisson-Boltzmann theory, and to decrease at larger distances. The ion
density profile is studied analytically in the case where the ion distribution
near the plate is dominated only by counter-ions. Further away from the plate
the density distribution can be described using a Poisson-Boltzmann theory with
an effective surface charge that is smaller than the actual one.Comment: 11 Figures in 13 files + LaTex file. 20 pages. Accepted to Phys. Rev.
E. Corrected typos and reference
Charge-Reversal Instability in Mixed Bilayer Vesicles
Bilayer vesicles form readily from mixtures of charged and neutral
surfactants. When such a mixed vesicle binds an oppositely-charged object, its
membrane partially demixes: the adhesion zone recruits more charged surfactants
from the rest of the membrane. Given an unlimited supply of adhering objects
one might expect the vesicle to remain attractive until it was completely
covered. Contrary to this expectation, we show that a vesicle can instead
exhibit {\it adhesion saturation,} partitioning spontaneously into an
attractive zone with definite area fraction, and a repulsive zone. The latter
zone rejects additional incoming objects because counterions on the interior of
the vesicle migrate there, effectively reversing the membrane's charge. The
effect is strongest at high surface charge densities, low ionic strength, and
with thin, impermeable membranes. Adhesion saturation in such a situation has
recently been observed experimentally [H. Aranda-Espinoza {\it et al.}, {\sl
Science} {\bf285} 394--397 (1999)]
Counterion Condensation and Fluctuation-Induced Attraction
We consider an overall neutral system consisting of two similarly charged
plates and their oppositely charged counterions and analyze the electrostatic
interaction between the two surfaces beyond the mean-field Poisson-Boltzmann
approximation. Our physical picture is based on the fluctuation-driven
counterion condensation model, in which a fraction of the counterions is
allowed to ``condense'' onto the charged plates. In addition, an expression for
the pressure is derived, which includes fluctuation contributions of the whole
system. We find that for sufficiently high surface charges, the distance at
which the attraction, arising from charge fluctuations, starts to dominate can
be large compared to the Gouy-Chapmann length. We also demonstrate that
depending on the valency, the system may exhibit a novel first-order binding
transition at short distances.Comment: 15 pages, 8 figures, to appear in PR
Anisotropic Pair Correlations and Structure Factors of Confined Hard-Sphere Fluids: An Experimental and Theoretical Study
We address the fundamental question: how are pair correlations and structure factors of hard-sphere fluids affected by confinement between hard planar walls at close distance? For this purpose, we combine x-ray scattering from colloid-filled nanofluidic channel arrays and first-principles inhomogeneous liquid-state theory within the anisotropic Percus-Yevick approximation. The experimental and theoretical data are in remarkable agreement at the pair-correlation level, providing the first quantitative experimental verification of the theoretically predicted confinement-induced anisotropy of the pair-correlation functions for the fluid. The description of confined fluids at this level provides, in the general case, important insights into the mechanisms of particle-particle interactions in dense fluids under confinement
Negative electrostatic contribution to the bending rigidity of charged membranes and polyelectrolytes screened by multivalent counterions
Bending rigidity of a charged membrane or a charged polyelectrolyte screened
by monovalent counterions is known to be enhanced by electrostatic effects. We
show that in the case of screening by multivalent counterions the electrostatic
effects reduce the bending rigidity. This inversion of the sign of the
electrostatic contribution is related to the formation of two-dimensional
strongly correlated liquids (SCL) of counterions at the charged surface due to
strong lateral repulsion between them. When a membrane or a polyelectrolyte is
bent, SCL is compressed on one side and stretched on the other so that
thermodynamic properties of SCL contribute to the bending rigidity.
Thermodynamic properties of SCL are similar to those of Wigner crystal and are
anomalous in the sense that the pressure, compressibility and screening radius
of SCL are negative. This brings about substantial negative correction to the
bending rigidity. For the case of DNA this effect qualitatively agrees with
experiment.Comment: 8 pages, 2 figure
Integral equations for simple fluids in a general reference functional approach
The integral equations for the correlation functions of an inhomogeneous
fluid mixture are derived using a functional Taylor expansion of the free
energy around an inhomogeneous equilibrium distribution. The system of
equations is closed by the introduction of a reference functional for the
correlations beyond second order in the density difference from the equilibrium
distribution. Explicit expressions are obtained for energies required to insert
particles of the fluid mixture into the inhomogeneous system. The approach is
illustrated by the determination of the equation of state of a simple,
truncated Lennard--Jones fluid and the analysis of the behavior of this fluid
near a hard wall. The wall--fluid integral equation exhibits complete drying
and the corresponding coexisting densities are in good agreement with those
obtained from the standard (Maxwell) construction applied to the bulk fluid.
Self--consistency of the approach is examined by analyzing the
virial/compressibility routes to the equation of state and the Gibbs--Duhem
relation for the bulk fluid, and the contact density sum rule and the Gibbs
adsorption equation for the hard wall problem. For the bulk fluid, we find good
self--consistency for stable states outside the critical region. For the hard
wall problem, the Gibbs adsorption equation is fulfilled very well near phase
coexistence where the adsorption is large.For the contact density sum rule, we
find some deviationsnear coexistence due to a slight disagreement between the
coexisting density for the gas phase obtained from the Maxwell construction and
from complete drying at the hard wall.Comment: 29 page
Northward range expansion of rooting ungulates decreases detritivore and predatory mite abundances in boreal forests.
In the last few decades wild boar populations have expanded northwards, colonizing boreal forests. The soil disturbances caused by wild boar rooting may have an impact on soil organisms that play a key role in organic matter turnover. However, the impact of wild boar colonization on boreal forest ecosystems and soil organisms remains largely unknown. We investigated the effect of natural and simulated rooting on decomposer and predatory soil mites (total, adult and juvenile abundances; and adult-juvenile proportion). Our simulated rooting experiment aimed to disentangle the effects of (i) bioturbation due to soil mixing and (ii) removing organic material (wild boar food resources) on soil mites. Our results showed a decline in the abundance of adult soil mites in response to both natural and artificial rooting, while juvenile abundance and the relative proportion of adults and juveniles were not affected. The expansion of wild boar northwards and into new habitats has negative effects on soil decomposer abundances in boreal forests which may cascade through the soil food web ultimately affecting ecosystem processes. Our study also suggests that a combined use of natural and controlled experimental approaches is the way forward to reveal any subtle interaction between aboveground and belowground organisms and the ecosystem functions they drive
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