Search Results - "Hickey, Owen A"
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Mobility reversal of polyelectrolyte-grafted colloids in monovalent salt solutions
Published in Physical review letters (05-12-2014)“…We present molecular dynamics simulations on the electrophoresis of a negative colloid grafted with positive polyelectrolytes. Net-neutral colloids show a…”
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2
Modeling the separation of macromolecules: A review of current computer simulation methods
Published in Electrophoresis (01-03-2009)“…Theory and numerical simulations play a major role in the development of improved and novel separation methods. In some cases, computer simulations predict…”
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3
Influence of Charged Polymer Coatings on Electro-Osmotic Flow: Molecular Dynamics Simulations
Published in Macromolecules (13-12-2011)“…Electro-osmotic flow (EOF) plays a crucial role in the functioning of devices in micro- and nanofluidics. In order to optimize the operation of a device,…”
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4
Molecular dynamics simulations of optimal dynamic uncharged polymer coatings for quenching electro-osmotic flow
Published in Physical review letters (13-03-2009)“…The suppression of electro-osmotic flow (EOF) through the use of a dynamically adsorbed polymer coating is a widely used technique in microfluidic devices…”
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5
Electrophoresis of a Spherical Polyelectrolyte-Grafted Colloid in Monovalent Salt Solutions: Comparison of Molecular Dynamics Simulations with Theory and Numerical Calculations
Published in Macromolecules (10-02-2015)“…We study the electrophoresis of a polyelectrolyte-grafted colloid immersed in monovalent salt solution by means of explicit-ion molecular dynamics simulations…”
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6
Importance of varying permittivity on the conductivity of polyelectrolyte solutions
Published in Physical review letters (11-09-2015)“…Dissolved ions can alter the local permittivity of water; nevertheless most theories and simulations ignore this fact. We present a novel algorithm for…”
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7
The influence of charged-induced variations in the local permittivity on the static and dynamic properties of polyelectrolyte solutions
Published in The Journal of chemical physics (28-12-2015)“…There is a large body of literature investigating the static and dynamic properties of polyelectrolytes due both to their widespread application in industrial…”
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8
Electrophoretic mobility reversal of polyampholytes induced by strong electric fields or confinement
Published in The Journal of chemical physics (21-05-2013)“…We investigate the mobility of polyampholytes consisting of both negatively and positively charged sections. The simulations are carried out using molecular…”
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9
Lattice-Boltzmann simulations of the electrophoretic stretching of polyelectrolytes: the importance of hydrodynamic interactions
Published in The Journal of chemical physics (28-04-2014)“…In this article we examine the electrophoretic stretching of polyelectrolytes between parallel uncharged plates using molecular dynamics simulations. We…”
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10
Computing the Electrophoretic Mobility of Large Spherical Colloids by Combining Explicit Ion Simulations with the Standard Electrokinetic Model
Published in Langmuir (25-02-2014)“…The electrophoretic mobility of large spherical colloids in different salt solutions of varying valency and concentration is studied via a combination approach…”
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11
Simulations of free-solution electrophoresis of polyelectrolytes with a finite Debye length using the Debye-Hückel approximation
Published in Physical review letters (31-08-2012)“…We introduce a mesoscale simulation method based on multiparticle collision dynamics (MPCD) for the electrohydrodynamics of polyelectrolytes with finite Debye…”
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12
Implicit method for simulating electrohydrodynamics of polyelectrolytes
Published in Physical review letters (01-10-2010)“…We introduce a novel method to couple Lennard-Jones beads to a lattice-Boltzmann fluid by adding a term which represents the slip within the Debye layer with…”
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13
Controlling Grafted Polymers inside Cylindrical Tubes
Published in Macromolecules (12-02-2013)“…Grafted polymers inside cylindrical tubes in good and Θ solvents are systematically studied by numerical self-consistent mean-field theory (SCFT) and molecular…”
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14
Computer simulations of time-dependent suppression of EOF by polymer coatings
Published in Microfluidics and nanofluidics (01-07-2012)“…We use molecular dynamics simulations in order to investigate the time evolution of the effect of adsorbed polymer coatings on the electro-osmotic flow (EOF)…”
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15
The diffusion coefficient of a polymer in an array of obstacles is a non-monotonic function of the degree of disorder in the medium
Published in Physics letters. A (14-05-2007)“…Using Monte Carlo simulations, we have found that there is a surprising non-monotonic dependence of a polymer's diffusion coefficient upon the degree of…”
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16
The influence of charged-induced variations in the local permittivity on the static and dynamic properties of polyelectrolyte solutions
Published 23-11-2015“…There is a large body of literature investigating the static and dynamic properties of polyelectrolytes due both to their widespread application in industrial…”
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17
Importance of Varying Permittivity on the Conductivity of Polyelectrolyte Solutions
Published 13-09-2015“…Physical Review Letters 115, page 118301 (2015) Dissolved ions can alter the local permittivity of water, nevertheless most theories and simulations ignore…”
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