• Title/Summary/Keyword: Chemical potential distribution

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Modified Bone Density Fractionation Method for Palaeodietary Studies

  • Shin, Ji-Young
    • Bulletin of the Korean Chemical Society
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    • v.32 no.1
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    • pp.83-88
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    • 2011
  • The bone density fractionation method is a potential palaeodietary tool in tracing lifetime dietary changes as well as separating diagenetically altered fractions. This paper presents a workable bone density fractionation method that uses a devised mathematical model and the particle size distribution. Different grinding methods, i.e., a Spex $LN_2$ mill, a Disc mill and a Micronising mill, were used to reduce archaeological bone particles to an appropriate size range, which was then analyzed by a Laser particle sizer. It was found that density profiles are in good agreement with the diagenetic parameters, and with their stable isotope results.

Lattice-Fluid Description of Phase Equilibria in Supercritical Fluids (격자유체이론을 이용한 초임계유체내에서의 상평형)

  • Kim, Ki-Chang
    • Journal of Industrial Technology
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    • v.11
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    • pp.3-16
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    • 1991
  • The lattice-fluid theory are adopted for modeling the phese equilibria in supercritical fluids, In order to investigate effects of the nonrandom distribution of holes in mixtures on the phase equilibria, the equation of state and the chemical potential of the binary miture are formulated with taking into account nonrandomness of holes distributions in the fluid mixture. The relations of phase equilibria formulated in this work are tested through predictions of solubility of heavy solids in supercritical fluids and predictions of high pressure phase equilibria of binary mixtures. Results obtained exhibit that the lattice fluid model with assumptions of nonrandomness of hole distributions is successful in quantatively mideling the phase equilibria of mixtures of molecules of dissimilar sizes, specifically solids-supercritical fluid mixtures.

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Vibrational Assignment of S$_8$ from Normal Coordinatie Analysis

  • Chang, Man-Chai;Kim, Hyun-Yong;Jhon, Mu-Shik
    • Bulletin of the Korean Chemical Society
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    • v.6 no.1
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    • pp.29-32
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    • 1985
  • Normal modes of crystalline orthorhombic sulfur belonging to the space group $D_{2h}$-Fddd, have been evaluated by taking the lowest temperature phase in the solid. Normal modes are obtained by the valence force field with modified force constants and a quantitative description of the mode is adjusted by the potential energy distribution. Since the full crystal system of orthorhombic sulfur is so large, we intended to calculate the normal modes simply by constructing the imaginary box made by the infinite mass boundary. And the Raman experiment is done by using the more powerful Ar-Kr gas laser with lowering the temperature to ${\sim}10^{\circ}K$.

Nonequilibrium Molecular Dynamics Simulation Study on the Shear-Induced Orientational Change of Rodlike Molecules

  • Lee, Chang Jun;Sim, Hun Gu;Kim, Un Cheon;Lee, Song Hui;Park, Hyeong Suk
    • Bulletin of the Korean Chemical Society
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    • v.21 no.4
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    • pp.434-440
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    • 2000
  • We present the results of computer simulation for the steady shear flows of rodlike molecules using nonequi-librium molecular dynamics simulation (NEMD) method. The model particle is a rigid rod composed of lin-early connected 6-sites and the Lennard-Jones 12-6 potential governs interactions between sites in different molecules. The system of rodlike molecules exhibits the change of orientational structure, that is, isotropic-nematic transition at high shear rates. We elucidate the nature of the ordered system developed from an isotro-pic phase by steady shear through an analysis of various quantities: orientational order parameters, orientational pair correlation functions, orientational distribution function, and snapshots of configurations. The effects of temperature and density on the shear rate dependence of orientational structure are described.

THE USE OF NEAR INFRARED REFLECTANCE SPECTROSCOPY(NIRS) TO PREDICT CHEMICAL COMPOSITION ON MAIZE SILAGE

  • D.Cozzolino;Fassio, A.;Mieres, J.;Y.Acosta
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1610-1610
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    • 2001
  • Microbiological examination of silage is of little value in gauging the outcome of silage, and so chemical analysis is more reliable and meaningful indicator of quality. On the other hand chemical assessments of the principal fermentation products provide an unequivocal basis on which to judge quality. Livestock require energy, protein, minerals and vitamins from their food. While fresh forages provide these essential items, conserved forages on the other hand may be deficient in one or more of them. The aim of the conservation process is to preserve as many of the original nutrients as possible, particularly energy and protein components (Woolford, 1984). Silage fermentation is important to preservation of forage with respect of feeding value and animal performance. Chemical and bacteriological changes in the silo during the fermentation process can affect adversely nutrient yield and quality (Moe and Carr, 1984). Many of the important chemical components of silage must be assayed in fresh or by extraction of the fresh material, since drying either by heat or lyophilisation, volatilises components such as acids or nitrogenous components, or effects conversion to other compounds (Abrams et al., 1987). Maize silage dorms the basis of winter rations for the vast majority of dairy and beef cattle production in Uruguay. Since nutrient intake, particularly energy, from forages is influenced by both voluntary dry matter intake and digestibility; there is a need for a rapid technique for predicting these parameters in farm advisory systems. Near Infrared Reflectance Spectroscopy (NIRS) is increasingly used as a rapid, accurate method of evaluating chemical constituents in cereals and dried forages. For many years NIRS was applied to assess chemical composition in dry materials (Norris et al., 1976, Flinn et al., 1992; Murray, 1993, De Boever et al., 1996, De la Roza et al., 1998). The objectives of this study were (1) to determine the potential of NIRS to assess the chemical composition of dried maize samples and (2) to attempt calibrations on undried samples either for farm advisory systems or for animal nutrition research purposes in Uruguay. NIRS were used to assess the chemical composition of whole - plant maize silage samples (Zea mays, L). A representative population of samples (n = 350) covering a wide distribution in chemical characteristics were used. Samples were scanned at 2 nm intervals over the wavelength range 400-2500 nm in a NIRS 6500 (NIRSystems, Silver Spring, MD, USA) in reflectance mode. Cross validation was used to avoid overfitting of the equations. The optimum calibrations were selected on the basis of minimizing the standard error of cross validation (SECV). The calibration statistics were R$^2$ 0. 86 (SECV: 11.4), 0.90 (SECV: 5.7), 0.90 (SECV: 16.9) for dry matter (DM), crude protein (CP), acid detergent fiber (ADF) in g kg$\^$-1/ on dry matter, respectively for maize silage samples. This work demonstrates the potential of NIRS to analyse whole - maize silage in a wide range of chemical characteristics for both advisory farm and nutritive evaluation.

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Studies on the surface charge and coagulation characteristics of suspended particles in the aqueous phase (수용액상에서 부유 미립자의 표면전위와 응집특성에 관한 연구)

  • 박상원;김성국;홍대일
    • Journal of Environmental Science International
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    • v.8 no.3
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    • pp.363-369
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    • 1999
  • This study aimed to elucidate the relationship between theoretical parameters affecting the coagulation process and the real coagulation phenomenon applied to the dye wastewater. Emphasis was placed on the effective removal of the suspend particulates. Parameters studied in this study are pH, coagulant concentration and surface potential. Optimal dosages of coagulants by the measurement of the zeta potential at lower then $25^{\circ}C$ are 5\times$10^P-3}$ M of $FeCl_3 and 1.4\times10^{-6}M of Fe_2(SO_4)_3$. The results were well agreeded with the separate Jar-test results. Emphasis was also placed on the relationship between water quality and the content of SS. It was found that the COD and DOC were reduced to 65% and 85%, respectively. The turbidity at the above condition was reduced from 300 NTU to 0~1 NTU. Efforts were made to clarify the behavior of the suspend solid as affecting the water quality. 12,000~13,000 particles/10mL in $1~50\mu$m size range particulates in the raw wastewater were reduced to 300 particle/10mL in the same range after treatment. This research has proposed the methodology to find out the optimal condition of coagulation for small scale wastewater treatment plant or chemical coagulation process.

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Analysis of Binodal Structures of Final State Distributions in Vibrational Predissociations of Triatomic van der Waals Molecules

  • 이천우
    • Bulletin of the Korean Chemical Society
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    • v.16 no.12
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    • pp.1193-1203
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    • 1995
  • In this work, we focused on the setup of the tools for the analysis of the final rotational state distribution of photofragments in vibrational predissociations of triatomic van der Waals molecules A-B2. We found that reflection principle used for the direct photodissociation processes can also be applied to find out the final rotational state distributions for indirect photodissociation processes. The quantity which represents the strength of rovibrational coupling between the quasi-bound state and the final state is reflected into the mirror of the classical angular momentum function, instead of the initial state before light absorption used in the reflection principle of direct processes. The sign change in the first derivative of the interaction potential with respect to the bond distance of B2 is found to be the source of the binodal structures in the final rotational distributions of photofragments in the model system studied in this work. In MQDT analysis, short range eigenchannel basis functions were found to be localized in angle, in the previous work [Lee, C.W. Bull. Korean Chem. Soc. 1995, 16, 957.] and may be called angle functions. Angle functions enjoy simple geometrical structures which have simple functional relations with the final state distributions of photofragments. Two processes take place along the angle functions which resemble the quasi-bound state and dominate over other processes. Two such angle functions are found to be not only localized angularly but also localized either one of ends of B2 in motions along the bond of B2. These dominating photodissociation processes, however, cancel each other. This cancellation causes photodissociation to depend sensitively on the interaction potential at other angles than the dominant one. Part of potential surface where much larger torque exists can now play an important role in photodissociation. MQDT also enables us to see which processes play important roles after cancellation. This is done by examining the amounts of time delayed by asymptotic eigenchannels.

Surface Properties of Glutathione Layer Formed on Gold Surfaces (금 표면 위에 형성된 글루타싸이온 층의 표면 물성)

  • Park, Jin-Won
    • Korean Chemical Engineering Research
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    • v.50 no.2
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    • pp.379-384
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    • 2012
  • It is investigated that that the physical properties of Glutathione layer formed on gold surfaces may make an effect on the distribution of either gold particle adsorbed to the $TiO_2$ surface or vice versa with the adjustment of the electrostatic interactions. For the investigation, the atomic force microscope (AFM) was used to measure the surface forces between the surfaces as a function of the salt concentration and pH value. With the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory, the forces were quantitatively analyzed to acquire the surface potential and charge density of the surfaces for each salt concentration and each pH value. The surface potential and charge density dependence on the salt concentration was described with the law of mass action, and the pH dependence was explained with the ionizable groups on the surface. The salt concentration dependence of the surface properties, found from the measurement at pH 8 and 11, was consistent with the prediction from the law. It was found that the Glutathione layer had higher values for the surface charge densities and potentials than the titanium dioxide surfaces at pH 8 and 11, which may be attributed to the ionized-functional-groups of the Glutathione layer.

BEHAVIORS OF MOLYBDENUM IN UO2 FUEL MATRIX

  • Ha, Yeong-Keong;Kim, Jong-Goo;Park, Yang-Soon;Park, Soon-Dal;Song, Kyu-Seok
    • Nuclear Engineering and Technology
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    • v.43 no.3
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    • pp.309-316
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    • 2011
  • Molybdenum is the most abundant fission product since its fission yield is equivalent to that of xenon, and it has a very special role in the chemistry of nuclear fuel because it influences the oxygen potential of $UO_2$ fuel. In this study, the distribution of molybdenum in spent $UO_2$ fuel specimens with 33.3, 41.0 and 57.6 GWd/tU burnup was measured by a LA-ICP-MS system and the reproducibility of the measured data was obtained. The Mo distribution was almost constant along the radius of a fuel except an increase at the periphery of the fuel. It showed a drop in reproducibility with relatively high deviation of measured values for the highest burnup fuel. To explain this, the state of molybdenum in a $UO_2$ matrix and its effect on the oxidation behavior of $UO_2$ were investigated. The low reproducibility was explained by the segregation of molybdenum, and the inhibition of oxidation by the molybdenum was also observed.

Distribution and Origin of Polycyclic Aromatic Hydrocarbons (PAHs) in Surface Sediments Inside Hallim Harbor of Jeju Island, Korea

  • Moon, Sang-Hee;Lee, Min-Gyu;Kam, Sang-Kyu
    • Journal of Environmental Science International
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    • v.12 no.11
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    • pp.1145-1157
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    • 2003
  • The surface sediments inside Hallim Harbor, one of the major harbors of Jeju Island, were sampled three times (June, September and December, 2001) and analyzed for 16 polycyclic aromatic hydrocarbons (PAHs), recommended by US-EPA as priority pollutants, to assess their distribution levels and to suggest their possible origins. The concentrations of PAHs ranged from 19 to 496 ng/g on a dry weight basis with a mean value of 245 ng/g, and the levels were low to moderate in comparison with other areas in the world. Based on comparisons of individual and total PAH concentrations with effects-based and equilibrium partitioning-based on sediment quality guidelines, the potential for the biological effects were expected to be low. The sedimentary PAHs may be correlated with organic carbon and mud contents to some extent. From the examinations of the four PAH origin indices, such as LMW/HMW (low molecular weight 2-3 ring PAHs over high molecular weight 4-6 ring PAHs), phenanthrene/anthracene ratio, fluoranthene/pyrene ratio, chrysene/benzo〔a〕anthracene ratio, it can be concluded that the sediment PAH contaminations were ascribed to both pyrolytic and petrogenic origins.