• 대한기계학회:학술대회논문집
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• 대한기계학회 2004년도 추계학술대회
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• pp.1528-1533
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• 2004

A numerical investigation is made of transient evolutionary prcocess of electroosmotic flow in a two-dimensional microchannel connected to a reservoir. The channel height is very small so that two electric double layers forming on the charged surfaces are overlapped. Transient transports of ions in the electrolyte solution are computed by integrating the Nernst-Planck equation together with the Poisson equation for electric potential. The numerical results illustrate that there are two distinct transient phases. The physical mechanisms and relevant time scales for the transient evolution are described.

• Bulletin of the Korean Chemical Society
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• 제10권6호
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• pp.585-591
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• 1989

The effects of the charged metal on the overall electrostatic potential profiles and the capacitances of the electrical double layer are brought out. A model with a simplified jellium and a point-charged electrolyte is utilized in the present calculations. Electrons are assumed not to penetrate electrode surface due to a strong screening of electrolyte at the interface. Electron density functions and ion density functions are obtained, which are also based upon the Poisson equation and Boltzmann equation on either side of the interface. A complete potential profile starting from bulk electrode and ending at bulk electrolyte is obtained by connecting the two potential profiles (one inside the metal electrode, the other inside the electrolyte) with proper boundary conditions. In spite of the simplicity of the model, the present model reveals the importance of the effect of the charged metal on the electrostatic potential profile and the electrical double layer capacitances. The results are discussed and compared with the predictions by Gouy Chapman theory.

• 대한기계학회논문집B
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• 제27권7호
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• pp.956-962
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• 2003

The Lippmann-Young equation has been widely used in electrowetting to predict the contact-angle change of a droplet on a insulating substrate with respect to the externally-applied electrical voltage. The Lippmann-Young equation is derived by assuming a droplet as a perfect conductor, so that the effect of the electrical double layer and the line tension are not taken into account. The validity of the assumption has never been checked before, systematically. In the present investigation, a modified Lippmann-Young equation is derived taking into account of the effect of the electrical double layer and the line tension. To assess their influence on contact-angle change in electrowetting, the electrostatic field around the three-phase contact line is analyzed by solving the Poisson-Boltzmann equation numerically. The validity of the numerical methods is verified by using the past theoretical results on the electrostatic field around a wedge-shaped geometry, which shows fairly good agreement. The results of the present investigation clearly indicate that the effect of the electrical double layer and the line tension is negligible for a millimeter-sized droplet. On the other hand, for a micron-sized droplet, the effect of the line tension can become a dominating factor which controls the contact-angle change in electrowetting.

• Bulletin of the Korean Chemical Society
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• 제33권3호
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• pp.933-940
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• 2012

Recently, it has been shown that quantum coherence appears in energy transfers of various photosynthetic lightharvesting complexes at from cryogenic to even room temperatures. Because the photosynthetic systems are inherently complex, these findings have subsequently interested many researchers in the field of both experiment and theory. From the theoretical part, simplified dynamics or semiclassical approaches have been widely used. In these approaches, the quantum-classical Liouville equation (QCLE) is the fundamental starting point. Toward the semiclassical scheme, approximations are needed to simplify the equations of motion of various degrees of freedom. Here, we have adopted the Poisson bracket mapping equation (PBME) as an approximate form of QCLE and applied it to find the time evolution of the excitation in a photosynthetic complex from marine algae. The benefit of using PBME is its similarity to conventional Hamiltonian dynamics. Through this, we confirmed the coherent population transfer behaviors in short time domain as previously reported with a more accurate but more time-consuming iterative linearized density matrix approach. However, we find that the site populations do not behave according to the Boltzmann law in the long time limit. We also test the effect of adding spurious high frequency vibrations to the spectral density of the bath, and find that their existence does not alter the dynamics to any significant extent as long as the associated reorganization energy is changed not too drastically. This suggests that adopting classical trajectory based ensembles in semiclassical simulations should not influence the coherence dynamics in any practical manner, even though the classical trajectories often yield spurious high frequency vibrational features in the spectral density.

• 한국입자에어로졸학회지
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• 제5권3호
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• pp.123-131
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• 2009

This paper presents simulation results of particle transport in low-pressure, low-temperature plasma environment. The size dependent transport of particles in the plasma is investigated with a two-dimensional simulation tool developed in-house for plasma chamber analysis and design. The plasma model consists of the first two and three moments of the Boltzmann equation for ion and electron fluids respectively, coupled to Poisson's equation for the self-consistent electric field. The particle transport model takes into account all important factors, such as gravitational, electrostatic, ion drag, neutral drag and Brownian forces, affecting the motion of particles in the plasma environment. The particle transport model coupled with both neutral fluid and plasma models is simulated through a Lagrangian approach tracking the individual trajectory of each particle by taking a force balance on the particle. The size dependant trap locations of particles ranging from a few nm to a few ${\mu}m$ are identified in both electropositive and electronegative plasmas. The simulation results show that particles are trapped at locations where the forces acting on them balance. While fine particles tend to be trapped in the bulk, large particles accumulate near bottom sheath boundaries and around material interfaces, such as wafer and electrode edges where a sudden change in electric field occurs. Overall, small particles form a "dome" shape around the center of the plasma reactor and are also trapped in a "ring" near the radial sheath boundaries, while larger particles accumulate only in the "ring". These simulation results are qualitatively in good agreement with experimental observation.

• 반도체디스플레이기술학회지
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• 제8권3호
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• pp.31-37
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• 2009

This paper presents one and two dimensional simulation results with discontinuous features (shocks) of capacitively coupled rf plasmas. The model consists of the first two and three moments of the Boltzmann equation for the ion and electron fluids respectively, coupled to Poisson's equation for the self-consistent electric field. The local field and drift-diffusion approximations are not employed, and as a result the charged species conservation equations are hyperbolic in nature. Hyperbolic equations may develop discontinuous solutions even if their initial conditions are smooth. Indeed, in this work, secondary electron emission is shown to produce transient electron shock waves. These shocks form at the boundary between the cathodic sheath (CS) and the quasi-neutral (QN) bulk region. In the CS, the electrons emitted from the electrode are accelerated to supersonic velocities due to the large electric field. On the other hand, in the QN the electric field is not significant and electrons have small directed velocities. Therefore, at the transition between these regions, the electron fluid decelerates from a supersonic to a subsonic velocity in the direction of flow and a jump in the electron velocity develops. The presented numerical results are consistent with both experimental observations and kinetic simulations.

• 한국전산유체공학회:학술대회논문집
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• 한국전산유체공학회 2009년 춘계학술대회논문집
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• pp.368-376
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• 2009

Studies on the effect of the wall-ion, wall-water, water-ion and ion-ion interaction on properties of water and ions in nano-channels have been performed through the use of different kinds of ions or different models of potential energy between wall-ion or wall-water. On this paper, we address the effect of water-wall interaction potential on the properties of confined aqueous solution by using the molecular dynamics (MD) simulations. As the interaction potential energies between water and wall we employed the models of the Weeks-Chandler-Andersen (WCA) and Lennard-Jones (LJ). On the MD simulations, 680 water molecules and 20 ions are included between uniformly charged plates that are separated by 2.6 nm. The water molecules are modeled by using the rigid SPC/E model (simple point charge/Extended) and the ions by the charged Lennard-Jones particle model. We compared the results obtained by using WCA potential with those by LJ potential. We also compared the results (e.g. ion density and electro-static potential distributions) in each of the above cases with those provided by solving the Poisson-Boltzmann equation.

• Korea-Australia Rheology Journal
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• 제17권4호
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• pp.207-215
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• 2005

We present a finite difference solution for electrokinetic flow in rectangular microchannels encompassing Navier's fluid slip phenomena. The externally applied body force originated from between the nonlinear Poisson-Boltzmann field around the channel wall and the flow-induced electric field is employed in the equation of motion. The basic principle of net current conservation is applied in the ion transport. The effects of the slip length and the long-range repulsion upon the velocity profile are examined in conjunction with the friction factor. It is evident that the fluid slip counteracts the effect by the electric double layer and induces a larger flow rate. Particle streak imaging by fluorescent microscope and the data processing method developed ourselves are applied to straight channel designed to allow for flow visualization of dilute latex colloids underlying the condition of simple fluid. The reliability of the velocity profile determined by the flow imaging is justified by comparing with the finite difference solution. We recognized the behavior of fluid slip in velocity profiles at the hydrophobic surface of polydimethylsiloxane wall, from which the slip length was evaluated for different conditions.