• Bulletin of the Korean Chemical Society
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• v.33 no.3
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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.

• Korea-Australia Rheology Journal
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• v.17 no.4
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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.