• KSII Transactions on Internet and Information Systems (TIIS)
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• v.16 no.4
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• pp.1373-1391
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• 2022

We investigate mobile multiple-input multiple-output (MIMO) molecular communication via diffusion (MCvD) system which is consisted of two source nodes, two destination nodes and one relay node in the mobile three-dimensional channel. First, the combinations of decode-and-forward (DF) relaying protocol and network coding (NC) scheme are implemented at relay node. The adaptive thresholds at relay node and destination nodes can be obtained by maximum a posteriori (MAP) probability detection method. Then the mathematical expressions of the average bit error probability (BEP) of this mobile MIMO MCvD system based on DF and NC scheme are derived. Furthermore, in order to minimize the average BEP, we establish the optimization problem with optimization variables which include the ratio of the number of emitted molecules at two source nodes and the initial position of relay node. We put forward an iterative scheme based on block coordinate descent algorithm which can be used to solve the optimization problem and get optimal values of the optimization variables simultaneously. Finally, the numerical results reveal that the proposed iterative method has good convergence behavior. The average BEP performance of this system can be improved by performing the joint optimizations.

• Nuclear Engineering and Technology
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• v.55 no.4
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• pp.1324-1331
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• 2023

In the present work, we carried out a molecular dynamics study of the kinetic properties of the FLiNaK molten salt, as well as a detailed study of the structure of this salt melt. The high value of the self-diffusion coefficient of fluorine ions is due to the large number of Coulomb repulsions between the most numerous negative ions. The calculated values of shear viscosity are in good agreement with the experimental data, as well as with the reference data obtained on the basis of finding the most reliable data. The total and partial functions of the radial distribution are calculated. According to the statistical analysis, fluorine ions have the greatest numerical diversity in the environment of similar ions, and sodium ions with the lowest representation in FLiNaK, have the least such diversity. For the subsystem of fluorine ions, the rotational symmetry of the fifth order is the most pronounced. Some of the fluorine ions form linear chains consisting of three atoms, which are not formed for positive ions. The results of the work give an understanding of the behavior molten FLiNaK under operating conditions in a molten salt reactor and will find application in future studies of this molten salt.

• Membrane Journal
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• v.7 no.1
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• pp.15-21
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• 1997

Carbon molecular sieve (CMS) membranes were synthesized by the pyrolysis of polymeric precursors. The CMS materials had oxygen-nitrogen selectivities much higher than those observed for the polymeric precursors. Typically molecular sieving materials have diffusion selectivities much higher than polymeric materials. This has been identified as a result of higher entropic selectivity of the molecular sieving materials. A study of the development of molecular sieving properties as the polymeric precursor is pyrolyzed into a CMS material will offer us an insight into polymeric molecular structures needed for enhanced entropic selectivity membrane materials.

• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 2003.10a
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• pp.347-354
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• 2003

The dynamics of fluid flow through nanomachines is completely different from that of continuum. In this study, molecular dynamics simulations were performed for the flow of helium, neon, argon inside carbon(graphite) nanotubes of several sizes. The fluid was introduced into the nanotube at a given initial velocity according to given temperature. Diffusion coefficients were evaluated by Green-Kubo equation derived from Einstein relationship. The behaviour of the fluid was strongly dependent on the density of fluid and tube diameter, not on the tube length. It was found that the diffusion Coefficients increased With decreasing the density of molecules and increasing the diameter and temperature.

• 한국신재생에너지학회:학술대회논문집
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• 2007.06a
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• pp.9-12
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• 2007

The transport mechanisms of the MTES (methyltriethoxysilane) templating silica/a-alumina composite membrane were evaluated by using four binary and one quaternary hydrogen mixtures through permeation experiments at unsteady- and steady-states. Since the permeation flux in the MTES membrane, through the experimental and theoretical studies, was affected by molecular sieving effects as well as surface diffusion properties, the kinetic and equilibrium separation should be considered simultaneously according to molecular properties. In order to depict the transient multi-component permeation on the templating silica membrane, the GMS (generalized Maxwell-Stefan) and DGM (dust gas model) were adapted to unsteady-state material balance.

• The Bulletin of The Korean Astronomical Society
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• v.36 no.2
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• pp.106.2-106.2
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• 2011

The two competing theories of star formation are based on turbulence and ambipoar diffusion. I will first briefly explain the two theories. There have been analytical (or semi-analytic) models, which estimate star formation rates in a turbulent cloud. Most of them are based on the log-normal density PDF (probability density function) of the turbulent cloud without self-gravity. I will first show that the core (star) formation rate can be increased significantly once self-gravity of a turbulence cloud is taken into account. I will then present the evolution of molecular line profiles of HCO+ and C18O toward a dense core that is forming inside a magnetized turbulent molecular cloud. Features of the profiles can be affected more significantly by coupled velocity and abundance structures in the outer region than those in the inner dense part of the core. During the evolution of the core, the asymmetry of line profiles easily changes from blue to red, and vice versa. Finally, I will introduce a method for incorporating ambipolar diffusion in the strong coupling approximation into a multidimensional magnetohydrodynamic code.

• Bulletin of the Korean Chemical Society
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• v.19 no.8
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• pp.868-874
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• 1998

An equivalent retention has been experimentally observed in thermal field-flow fractionation (ThFFF) for different polymer-solvent systems. It is shown that iso-retention between two sets of polymer-solvent systems can be obtained by adjusting the temperature difference (ΔT) according to the difference in the ratio of ordinary diffusion coefficient to thermal diffusion coefficient. This method uses a compensation of field strength (ΔT) in ThFFF at a fixed condition of cold wall temperature. It is applied for the calculation of molecular weight of polymers based on a calibration run of different standards obtained at an adjusted AT. The polymer standards used in this study are polystyrene (PS), polymethylmethacrylate (PMMA), and polytetrahydrofuran (PTHF). Three carrier solvents, tetrahydrofuran (THF), methylethylketone (MEK) and ethylacetate (ETAc) were employed. Though the accuracy in the calculation of molecular weight is dependent on the difference in the slope of log λ vs. log M which is related to Mark-Houwink constant a, it shows reasonable agreement within about 6% of relative error in molecular weight calculation for the polymer-solvent systems having similar a value.

• Bulletin of the Korean Chemical Society
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• v.29 no.3
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• pp.641-646
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• 2008

Equilibrium molecular dynamics simulations in a canonical ensemble are performed to evaluate the transport coefficients of several Lennard-Jones (LJ) mixtures at a liquid argon states of 94.4 K and 1 atm via modified Green-Kubo formulas. Two component mixture of A and B is built by considering the interaction between A and A as the attractive (A) potential, that between A and B as the attractive potential (A), and that between B and B as the repulsive potential (R), labelled as AAR mixture. Three more mixtures - ARA, ARR, and RAR are created in the same way. The behavior of the LJ energy and the transport properties for all the mixtures is easily understood in terms of the portion of attractive potential (A %). The behavior of the thermal conductivities by the translational energy transport due to molecular motion exactly coincides with that of diffusion constant while that of the thermal conductivities by the potential energy transport due to molecular motion is easily understood from the fact that the LJ energy of AAR, ARR, and RAR mixtures increases negatively with the increase of A % from that of the pure repulsive system while that of ARA changes rarely.

• Journal of the Korean Wood Science and Technology
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• v.52 no.4
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• pp.301-318
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• 2024

Contrary to other materials like metals, glass, etc., wood continuously interacts with the environment, increasing and decreasing its moisture content according to the humidity of the air and changing its dimensions by swelling or shrinking. Water diffusion through laminated solid wood is crucial in wood bonding processes. The adhesive layer might block the diffusion if the water vapor diffusion is perpendicular to the bond line. As a result of this blockage, different proportions of deformation appear on the two sides of the bond line, which causes stresses in the bonded assembly. The question arises of how long the bonded structure will keep its integrity due to moisture diffusion blockage, inevitable tensions appearing in the glue line, and how these stresses could be avoided. With cross laminated timber (CLT) solid wood panel production, this question gains new importance. Despite the relevance, only a limited number of publications are available. Comprehensive research would also be necessary considering both the molecular structure and diffusion properties of the adhesive adjusted to the wood species (covering possible substituting wood species, too). Overall, this review serves as a resource for enhancing our understanding of water vapor diffusion through wood adhesive layers and provides insights that have implications for reducing stresses in bonded wood assemblies and the performance of the bonded group over time. Furthermore, identifying knowledge gaps is necessary to establish the basis for investigating the diffusion property of CLT panels.

• Bulletin of the Korean Chemical Society
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• v.23 no.3
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• pp.447-453
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• 2002

In this paper we have presented the results of thermodynamic, structural, and dynamic properties of model systems for liquid benzene, toluene and p-xylene in an isobaric-isothermal (NpT) ensemble at 283.15, 303.15, 323.15, and 343.15 K using molecular dynamics (MD) simulation. This work is initiated to compensate for our previous canonical (NVT) ensemble MD simulations [Bull. Kor. Chem. Soc. 2001, 23, 441] for the same systems in which the calculated pressures were too low. The calculated pressures in the NpT ensemble MD simulations are close to 1 atm and the volume of each system increases with increasing temperature. The first and second peaks in the center of mass g(r) diminish gradually and the minima increase as usual for the three liquids as the temperature increases. The three peaks of the site-site gC-C(r) at 283.15 K support the perpendicular structure of nearest neighbors in liquid benzene. Two self-diffusion coefficients of liquid benzene via the Einstein equation and via the Green-Kubo relation are in excellent agreement with the experimental measures. The self-diffusion coefficients of liquid toluene and p-xylene are in accord with the trend that the self-diffusion coefficient decreases with increasing number of methyl group. The friction constants calculated from the force auto-correlation (FAC) function with the assumption that the fast random force correlation ends at time which the FAC has the first negative value give a correct qualitative trends: decrease with increase of temperature and increase with the number of methyl group. The friction constants calculated from the FAC's are always less than those obtained from the friction-diffusion relation which reflects that the random FAC decays slower than the total FAC as described by Kubo [Rep. Prog. Phys. 1966, 29, 255].