• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3703-3708
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• 2013

The scaling relationship of the longest relaxation time of a single chain of semiflexible biological polyelectrolyte has been investigated by performing well-established coarse-grained Brownian dynamics simulations. Two kinds of longest relaxation times were estimated from time-sequences of chain trajectories, and their behaviors were interpreted by applying the scaling law for different molecular weights of polyelectrolyte and Debye lengths. The scaling exponents for longest stress relaxation and rotational relaxation are found in the ranges of 1.67-1.79 and 1.65-1.81, respectively, depending on the physicochemical interaction of electrostatic Debye screening. The scaling exponent increases with decreasing screening effect, which is a special feature of polyelectrolytes differing from neutral polymers. It revealed that the weak screening allows a polyelectrolyte chain to follow the behavior in good solvent due to the strong electrostatic repulsion between beads.

• Bulletin of the Korean Chemical Society
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• v.29 no.6
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• pp.1131-1136
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• 2008

The electrical repulsive energy between two model cylinders was calculated by solving nonlinear Poission- Boltzmann (P-B) equation under Derjaguin approximation. Effects of the surface potential, Debye screening length, and configuration of cylinders on the repulsive interaction energy were examined. Due to the anisotropy of the shape of cylinder, the interaction repulsive energy showed dependence to the configuration of particles; cylinders aligned in end-to-end configuration showed largest repulsive energy and crossed particles had lowest interaction energy. The configuration effect is originated from the curvature effect of the interacting surfaces. The curved surfaces showed less repulsive energy than flat surfaces at the same interacting surface area. The configuration dependency of interaction energy agreed with the previous analytical solution obtained under the linearized P-B equation. The approach and results present in this report would be applicable in predicting colloidal behavior of cylindrical particles.

• Proceedings of the Korean Magnestics Society Conference
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• 2011.12a
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• pp.97-97
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• 2011

The analogy between spin configurations in spin ice materials like $Ho_2Ti_2O_7$ and proton configurations in water ice, $H_2O$, has been appreciated for many years (see Bramwell and Gingras, Science, 294, 1495, 2001). However it is only in the last few years that this equivalence has been extended into the realm of electrodynamics. In this talk I shall describe our recent experimental work that identifies magnetic charges ("monopoles"), transient magnetic currents ("magnetricity") and the universal properties expected of an ideal magnetic Coulomb gas (magnetic electrolyte - "magnetolyte"). These universal properties include the Onsager-Wien effect, "corresponding states" behaviour, Debye-Huckel screening and Bjerrum pairing. I will describe experimental results for both traditional spin ice materials ($Ho_2Ti_2O_7$, $Dy_2Ti_2O_7$) and a recently discovered system ($Dy_2Ge_2O_7$).

• Macromolecular Research
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• v.10 no.6
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• pp.297-303
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• 2002

We have investigated the microstructural properties of a weakly charged polyelectrolyte modeled with both Hookean spring and Debye-Huckel potential, by employing a novel hybrid scheme of molecular dynamics (MD) and Monte Carlo (MC) simulations. Although the off-lattice pivot step facilitates the earlier computations stage, it gives rise to oscillations and hinders the stable equilibrium state. In order to overcome this problem, we adopt the MC off-lattice pivot step in early stage only, and then switch the computation to a pure MD step. The result shows that the computational speed-up compared to the previous method is entirely above 10 to 50, without loss of the accuracy. We examined the conformations of polyelectrolyte in solvents in terms of the end-to-end distance, radius of gyration, and structure factor with variations of the screening effects of solvent and the monomer charges. The emphasis can favorably be given on the elongation behavior of a polyelectrolyte chain, with observing the simultaneous snapshots.

• Korea-Australia Rheology Journal
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• v.16 no.1
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• pp.17-26
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• 2004

We examine rigorous computations on microstructural as well as rheological properties of concentrated dispersions of bidisperse colloids. The NVT Monte Carlo simulation is applied to obtain the radial distribution function for the concentrated system. The long-range electrostatic interactions between dissimilar spherical colloids are determined using the singularity method, which provides explicit solutions to the linearized electrostatic field. The increasing trend of osmotic pressure with increasing total particle concentration is reduced as the concentration ratio between large and small particles is increased. From the estimation of total structure factor, we observe the strong correlations developed between dissimilar spheres. As the particle concentration increases at a given ionic strength, the magnitude of the first peak in structure factors increases and also moves to higher wave number values. The increase of electrostatic interaction between same charged particles caused by the Debye screening effect provides an increase in both the osmotic pressure and the shear modulus. The higher volume fraction ratio providing larger interparticle spacing yields decreasing high frequency limit of the shear modulus, due to decreasing the particle interaction energy.