• Membrane Journal
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• v.10 no.3
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• pp.139-147
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• 2000

Non-Fickian (or anomalous) diffusion was observed in transient sorption of aromatic solvents(such as benzene, toluene, and chlorobenzene) in fluoropolymers (such as ETFE, ECTFE and PVDF). In this study, five other transient sorption models (Crank, Long ＆ Richman, Berens ＆ Hopfenberg, Neogi, Li) based on Fick's law were employed to fit the anomalous sorption data for aromatic solvents. The adjustable parameters were determined by least square analysis of the measured and predicted fractional uptake. For ETFE sorption data slightly deviating from Fickian behavior, all the models exhibited satisfactory results in fitting the anomalous sorption data. In particular, Neogj model predicted intrinsic diffusivity (0.4～0.8$\times$10$^{-5}$ $\textrm{cm}^2$/day) and equilibrium diffusivity (0.13～0.31$\times$10$^{-4}$ $\textrm{cm}^2$/day) as well as relaxation kinetics related to non-Fickain diffusion. For a typical sigmoidal sorption behavior in PVDF, only Crank's model could give the reasonable evaluation on transport properties. The ratio of intial diffusivity (D$_{i}$) to final equilibrium diffusivity (D$_{\infty}$) was ranged from 80 to 200. For the final stage of uptake In ECTFE with drastic acceleration, all the models exhibited significant deviations from the sorption data. New diffusion models based on thermodynamics and continuum mechanics should be employed to get valuable information on transport properties as well as relaxation kinetics coupled with non-Fickian diffusion.

• Journal of the Korean Society of Groundwater Environment
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• v.2 no.1
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• pp.22-29
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• 1995

Mobile bacterial particles can act as carriers and enhance the transport of hydrophobic contaminants in ground water by reducing retardation effects. Because of their colloidal size and favorable surface conditions, bacteria can act as efficient contaminant carriers. When such carriers exist in a porous medium, the system can be thought of as three phases: an aqueous phase, a carrier phase, and a stationary solid matrix phase. Contaminant can be present in either or all of these phases. In this study, a mathematical model based on mass balances is developed to describe the transport and fate of biodegradable contaminant in a porous medium. Bacterial mass transfer mechanism between aqueous and solid matrix phases, and contaminant mass transfer between aqueous and bacterial phases are represented by kinetic models. Governing equations are non-dimensionalized and solved to analyze the bacteria facilitated contaminant transport. The numerical results of the facilitation effect match favorably with experimental data reported in the literature. Results show that the contaminant transport can be described by local equilibrium assumption when Damkohler numbers are larger than 10. Significant sensitivities to model parameters, particularly bacterial growth rate and influent bacterial concentration, were discovered.

• Journal of Korean Society of Coastal and Ocean Engineers
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• v.20 no.6
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• pp.611-620
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• 2008

The process of sediment transport has a very complex mechanism due to waves, currents and bottom topography changes. Usually, beach erosion occurs from various causes such as non-equilibrium sediment transport condition, construction of seawall and rip currents. Therefore, when we try to reduce and develop countermeasures for beach erosion, we have to know the main mode and direction of sediment transport that causes beach erosion. In this study, the process of sediment transport on Jeonchon-Najung beach and main causes of beach erosion have been studied. Field investigation data, aerial photos and the results of numerical model test were used in the analysis. As a result, it was realized that the main causes of beach erosion at Jeonchon-Najung beach was due to the construction of fishery harbors and a seawall.

• Journal of Korean Society of Coastal and Ocean Engineers
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• v.3 no.4
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• pp.209-216
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• 1991

Characteristics of suspended sediment concentration of equilibrium and non-equilibrium state caused by waves and currents are investigated by conducting a movable bed experiments in wave tanks. In the region where a downward flux of suspended sediment is larger than a upward flux, time-averaged vertical distribution of suspended sediment does not indicate logarithmic distribution. A new numerical procedure for predicting time-averaged suspended sediment concentration is also proposed based on two-dimensional advective diffusion equation by applying a split-operator approach. It is found that the unposed procedure can predict measured distribution of suspended sediment satisfactorily.

• Journal of Korean Society of Water and Wastewater
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• v.10 no.4
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• pp.103-110
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• 1996

Excessive phosphorus (P as orthophosphate) is one of the major pollutants in natural water that are responsible for algal blooms and eutrophication. P removal by slag is an attractive solution if the P sorption capacity of the slag is significant. To design an efficient land treatment facility, basic information on the behaviour of P in the media-water environment is required. In this study, detailed column experiments were conducted to study the P transport under dynamic condition, and mathematical models were developed to describe this process. The column experiments conducted with dust and cake waste products (slag) from BHP steel industry in Australia as adsorbing media indicated that they had higher sorption capacity of P than that of a sandy loam soil from North Sydney, Australia. P transport in the dust and cake columns exhibited characteristics S-shaped or curvilinear breakthrough curves. The simulated results from a dynamic physical non-equilibrium sorption model (DPNSM) and Freundlich isotherm constants satisfactorily matched the corresponding experimental breakthrough data. The mobility of P is restricted proportionally to the adsorbent's sorption capacity.

• Journal of Mechanical Science and Technology
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• v.20 no.8
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• pp.1292-1301
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• 2006

This article investigates numerically the carrier-phonon interactions in thin gallium arsenide (GaAs) film structures irradiated by subpicosecond laser pulses to figure out the role of several recombination processes on the energy transport during laser pulses and to examine the effects of laser fluences and pulses on non-equilibrium energy transfer characteristics in thin film structures. The self-consistent hydrodynamic equations derived from the Boltzmann transport equations are established for carriers and two different types of phonons, i.e., acoustic phonons and longitudinal optical (LO) phonons. From the results, it is found that the two-peak structure of carrier temperatures depends mainly on the pulse durations, laser fluences, and nonradiative recombination processes, two different phonons are in nonequilibrium state within such lagging times, and this lagging effect can be neglected for longer pulses. Finally, at the initial stage of laser irradiation, SRH recombination rates increases sufficiently because the abrupt increase in carrier number density no longer permits Auger recombination to be activated. For thin GaAs film structures, it is thus seen that Auger recombination is negligible even at high temperature during laser irradiation.

• Advances in nano research
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• v.10 no.4
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• pp.339-347
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• 2021

In the framework of the density functional theory combined with the method of non-equilibrium Green functions (DFT + NEGF), the electric transport properties of a one-dimensional nanodevice consisting of telescoping polyprismanes with various types of electrical conductivity were studied. Its transmission spectra, density of state, current-voltage characteristic, and differential conductivity are determined. It was shown that C_[14,17], C_[14,11], C_[14,16], C_[14,10] show a metallic nature, and polyprismanes C_[14,5], C_[14,4] possess semiconductor properties and has a band gap of 0.4 eV and 0.6 eV, respectively. It was found that, when metal C_[14,11], C_[14,10] and semiconductor C_[14,5], C_[14,4] polyprismanes are coaxially connected, a Schottky barrier is formed and a weak diode effect is observed, i.e., manifested valve (rectifying) property of telescoping polyprismanes. The enhancement of this effect occurs in the nanodevices C_[14,17] - C_[14,11] - C_[14,5] and C_[14,16] - C_[14,10] - C_[14,4], which have the properties of nanodiode and back nanodiode, respectively. The simulation results can be useful in creating promising active one-dimensional elements of nanoelectronics.

• Advances in nano research
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• v.10 no.5
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• pp.471-479
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• 2021

In the framework of the density functional theory combined with the method of non-equilibrium Green functions (DFT + NEGF), the electric transport properties of a one-dimensional nanodevice consisting of telescoping polyprismanes with various types of electrical conductivity were studied. Its transmission spectra, density of state, current-voltage characteristic, and differential conductivity are determined. It was shown that C_[14,17], C_[14,11], C_[14,16], C_[14,10] show a metallic nature, and polyprismanes C_[14,5], C_[14,4] possess semiconductor properties and has a band gap of 0.4 eV and 0.6 eV, respectively. It was found that, when metal C_[14,11], C_[14,10] and semiconductor C_[14,5], C_[14,4] polyprismanes are coaxially connected, a Schottky barrier is formed and a weak diode effect is observed, i.e., manifested valve (rectifying) property of telescoping polyprismanes. The enhancement of this effect occurs in the nanodevices C_[14,17] - C_[14,11] - C_[14,5] and C_[14,16] - C_[14,10] - C_[14,4], which have the properties of nanodiode and back nanodiode, respectively. The simulation results can be useful in creating promising active one-dimensional elements of nanoelectronics.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.158-158
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• 2012

A new kind of organic-inorganic hybrid polymer, poly(tetraphenyl)silole siloxane (PSS), was invented and synthesized for realization of its unique charge trap properties. The organic portions consisting of (tetraphenyl)silole rings are responsible for electron trapping owing to their low-lying LUMO, while the Si-O-Si inorganic linkages of high HOMO-LUMO gap provide the intrachain energy barrier for controlling electron transport. Such an alternation of the organic and inorganic moieties in a polymer may give an interesting quantum well electronic structure in a molecule. The PSS thin film was fabricated by spin-coating of the PSS solution in THF organic solvent onto Si-wafer substrates and curing. The electron trapping of the PSS thin films was confirmed by the capacitance-voltage (C-V) measurements performed within the metal-insulator-semiconductor (MIS) device structure. And the quantum well electronic structure of the PSS thin film, which was thought to be the origin of the electron trapping, was investigated by a combination of theoretical and experimental methods: density functional theory (DFT) calculations in Gaussian03 package and spectroscopic techniques such as near edge X-ray absorption fine structure spectroscopy (NEXAFS) and photoemission spectroscopy (PES). The electron trapping properties of the PSS thin film of quantum well structure are closely related to intra- and inter-polymer chain electron transports. Among them, the intra-chain electron transport was theoretically studied using the Atomistix Toolkit (ATK) software based on the non-equilibrium Green's function (NEGF) method in conjunction with the DFT.

• Advances in nano research
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• v.15 no.3
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• pp.263-275
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• 2023

The electron transport properties of Y-type zigzag branched carbon nanotubes (CNTs) are of great significance for micro and nano carbon-based electronic devices and their interconnection. Based on the semi-empirical method combining tight-binding density functional theory and non-equilibrium Green's function, the electron transport properties between the branches of Y-type zigzag branched CNT are studied. The results show that the drain-source current of semiconducting Y-type zigzag branched CNT (8, 0)-(4, 0)-(4, 0) is cut-off and not affected by the gate voltage in a bias voltage range [-0.5 V, 0.5 V]. The current presents a nonlinear change in a bias voltage range [-1.5 V, -0.5 V] and [0.5 V, 1.5 V]. The tangent slope of the current-voltage curve can be changed by the gate voltage to realize the regulation of the current. The regulation effect under negative bias voltage is more significant. For the larger diameter semiconducting Y-type zigzag branched CNT (10, 0)-(5, 0)-(5, 0), only the value of drain-source current increases due to the larger diameter. For metallic Y-type zigzag branched CNT (12, 0)-(6, 0)-(6, 0), the drain-source current presents a linear change in a bias voltage range [-1.5 V, 1.5 V] and is symmetrical about (0, 0). The slope of current-voltage line can be changed by the gate voltage to realize the regulation of the current. For three kinds of Y-type zigzag branched CNT with different diameters and different conductivity, the current-voltage curve trend changes from decline to rise when the branch of drain-source is exchanged. The current regulation effect of semiconducting Y-type zigzag branched CNT under negative bias voltage is also more significant.