• Title/Summary/Keyword: Solute distribution

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Calculation of the Entropies and Chemical Potentials of Hard-Sphere Solutes Solvated in Hard-Sphere Solids Using the Radial Free-Space Distribution Function

  • 윤병집
    • Bulletin of the Korean Chemical Society
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    • v.20 no.10
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    • pp.1209-1212
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    • 1999
  • The entropies and chemical potentials of hard-sphere solutes solvated in hard-sphere solids were calculated by Monte Carlo method using the radial free-space distribution function. This method is based on calculating the entropy by comparing the free volume of a molecule with that of an ideal gas, and is applicable even when the size of solute is very large and the solvent is a solid. When the diameter of hard-sphere solute is small the solute molecule behaves as like as a fluid in solid structures, but when the diameter of solute becomes large, a fluid-to-solid phase transition takes place. The fluid-to-solid phase transition occurs at the region of the smaller size of solute with the more increase of solvent density. The least square fit values of analytical form of the radial free-space distribution functions of solute molecules are presented for future uses.

Influences on Distribution of Solute Atoms in Cu-8Fe Alloy Solidification Process Under Rotating Magnetic Field

  • Zou, Jin;Zhai, Qi-Jie;Liu, Fang-Yu;Liu, Ke-Ming;Lu, De-Ping
    • Metals and materials international
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    • v.24 no.6
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    • pp.1275-1284
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    • 2018
  • A rotating magnetic field (RMF) was applied in the solidification process of Cu-8Fe alloy. Focus on the mechanism of RMF on the solid solution Fe(Cu) atoms in Cu-8Fe alloy, the influences of RMF on solidification structure, solute distribution, and material properties were discussed. Results show that the solidification behavior of Cu-Fe alloy have influenced through the change of temperature and solute fields in the presence of an applied RMF. The Fe dendrites were refined and transformed to rosettes or spherical grains under forced convection. The solute distribution in Cu-rich phase and Fe-rich phase were changed because of the variation of the supercooling degree and the solidification rate. Further, the variation in solute distribution was impacted the strengthening mechanism and conductive mechanism of the material.

Impact of Secondary Currents on Solute Transport in Open-Channel Flows over Smooth-Rough Bed Strips (조(粗)·세립상(細粒床)의 연속구조를 갖는 개수로 흐름에서 오염물질 수송에 대한 이차흐름 영향 분석)

  • Kang, Hyeongsik;Choi, Sung-Uk;Kim, Kyu-Ho
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.29 no.1B
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    • pp.73-81
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    • 2009
  • This paper presents a numerical investigation of the impact of the secondary currents on solute transport in open-channel flows. The RANS model with Reynolds stress model is used for flow modeling, and the GGDH(generalized gradient diffusion hypothesis) model is used to close the scalar transport equation. Using the developed model, the impact of secondary currents on solute transport in open channel flows over smooth-rough strip is investigated. Through numerical experiments, the secondary currents are found to affect the solute spreading, leading a movement of the position of the peak concentration and a skewed distribution of solute concentration. Due to the lateral flow of secondary currents near the free surface, the concentration at the rough strip is found to be larger than that at the smooth strip bed. The solute at the rough strip is more rapidly transported than smooth bed. A magnitude analysis of the solute transport rate in scalar transport equation is also carried out to investigate the effect of secondary currents and scalar flux on the concentration distribution.

Thermodynamic Properties of the Solute Transfer from the Aqueous Acetonitrile Mobile Phase to the Stationary Phase Monitored by HPLC

  • Jeong, Won Jo;Kim, Ji Yeon;Gu, Yun Mo
    • Bulletin of the Korean Chemical Society
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    • v.21 no.1
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    • pp.105-109
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    • 2000
  • High-performance liquid chromatography is suitable for getting thermodynamic information about solute-solvent interactions. We used a squalane impregnated $C_{18}$ phase as a presumably bulk-like stationary phase to secure a simple partition mechanism for solute retention in reversed phase liquid chromatographic system. We measured retention data of some selected solutes (benzene, toluene, ethylbenzene, propylbenzene, butylbenzene, phenol, benzylalcohol, phenethylalcohol, benzylacetone, acetophenone, benzonitrile, benzylcyanide) at 25, 30, 35, 40, 45, and 50 $^{\circ}C$ in 30/70, 40/60, 50/50, 60/40 and 70/30 (v/v%) acetonitrile/water eluents. The van't Hoff plots were nicely linear, thus we calculated dependable thermodynamic values such as enthalpies and entropies of solute transfer from the mobile phase to the stationary phase based on more than four retention measurements on different days (or weeks). We found that the cavity formation effect was the major factor in solute distribution between the mobile and stationary phases in the system studied here. Our data were com-pared with some relevant literature data.

A NUMERICAL STUDY ON CHARACTERISTICS OF FLUID FLOW AND SOLUTE TRANSPORT IN A SELF-AFFINE VARIABLE-APERTURE FRACTURE UNDER NORMAL COMPLIANCE EFFECT

  • JEONG WOOCHANG;HWANG MANHA;KO ICKHWAN;SONG JAIWOO
    • Water Engineering Research
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    • v.6 no.2
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    • pp.49-61
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    • 2005
  • This paper presents the numerical study to examine characteristics of fluid flow and solute transport in a rough fracture subject to effective normal stresses. The aperture distribution is generated by using the self-affine fractal model. In order to represent a nonlinear relationship between the supported normal stress and the fracture aperture, we combine a simple mechanical model with the local flow model. The solute transport is simulated using the random walk particle following algorithm. Results of numerical simulations show that the flow is significantly affected by the geometry of aperture distribution varying with the effective normal stress level while it is slightly affected by the fractal dimension that determines the degree of the fracture surface roughness. However, solute transport is influenced by the effective normal stress as well as the fracture surface roughness.

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Effect of Aluminum and Solute N on the Strain Aging of Extremely Low-Carbon Automotive Steel Strengthened with Cu sulfide (초극저탄소 Cu강화형 자동차용 강판 변형시효에 미치는 Aluminum 및 고용질소의 영향)

  • Hong, Moon-Hi;Yang, Hye-mi;Song, Seung-Woo;Han, Seong-Ho
    • Korean Journal of Metals and Materials
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    • v.47 no.2
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    • pp.71-78
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    • 2009
  • The precipitation behavior of solute carbon and nitrogen strongly affects the mechanical properties of low-carbon automotive panel. In the present study, the effects of aluminum and solute nitrogen on the bake hardenability and strain aging of extremely low-carbon steel with carbon content below 15 ppm has been investigated. The ferrite grain size and distribution of precipitates were varied with the amount of aluminum content of 0.003 to ~ 0.100 wt% in a constant solute carbon and nitrogen. With increasing the aluminum content, the ferrite grain size is increased and strain aging is delayed. The strain aging is also delayed by increasing the annealing temperature, although the ferrite grain size is not much changed.

A study on the Solute Redistribution of Cu-Sn(P) Alloy (Cu-Sn(P) 합금(合金)의 용질재분배(溶質再分配)에 관(關)한 연구(硏究))

  • Shur, Su-Jeong;Cho, Soon-Hyunh;Kim, Ik-Soo;Yoon, Eui-Pak;Choi, Jeong-Cheol
    • Journal of Korea Foundry Society
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    • v.10 no.3
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    • pp.219-224
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    • 1990
  • In this, we have investigated the solute behavior in front of solid-liquid interface according to the change of the cooling rate in bronze alloy and phosphor bronze alloy. The conclusive summary is as follows: 1) The secondary dendrite arm spacing was decreased with increasing the cooling rate. 2) The minimum solute concentration happened to along centerline of primary arm, and the maximum solute concentration was found at the boundary of arm or between the arms the minimum solute concentration was increased with the cooling rate. 3) Segregation Index S was decreased with increasing the cooling rate and content of P. 4) The degree of the microsegregation was decreased with increasing the cooling rate. The effective distribution coefficient, Ke was increased with addition of P in Cu-Sn.

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Study on Characteristics of Transient Soulte Transport in the Vadose Zone by Using TDR: (2) Application (TDR(Time Domain Reflectometry)를 이용한 비포화 토양에서 천이상태의 오염원 이송확산 특성에 관한 연구 : (2) 적용)

  • Park, Jae-Hyeon;Seo, Il-Won
    • Journal of Korea Water Resources Association
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    • v.32 no.6
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    • pp.751-762
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    • 1999
  • In this study, a 1-D laboratory experiment was conducted to investigate the characteristics of transient unsaturated solute transport by using two kinds of soils of which properties were known by test. Especially the TDR method which is proposed in this study was used to measure water content and solute concentration. As results, in the transient flow, the wetting front moves down rapidly, and the distribution of solute concentration near the wetting front showed the similar type of the water content distribution(semi-bell type). A numerical model HYDRUS was used to compare with the experimental results. Numerical results for the water movement are similar to experimental result. However, numerical results of the distribution of solute concentration are more scattered than experimental results. It means that measured dispersivity, numerical dispersion, adsorption coefficient, and soil sample size etc. should be considered in order to determine the dispersivity used in the numerical model. The present measuring method was proved to be superior to other formula and to be an available method to apply to solute transport test. The measuring error of the developed method is estimated smaller than 10% while water content is larger than 0.15.

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Prediction of Intrinsic Pore Properties of Ultrafiltration Membrane by Solute Rejection Curves (용질배제 곡선에 의한 한외여과 막의 세공특성 예측)

  • 염경호
    • Proceedings of the Membrane Society of Korea Conference
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    • 1991.10a
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    • pp.4-8
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    • 1991
  • The characterization of pore properties (mean pore size and pore size distribution) of the active layer in a UF membrane is important not only in order to obtain information about the factors affecting pore formation during membrane manufacturing but also to understand deeply the mechanism of solute and solvent transport through pores. Many methods of characterizing quantitatively the pore properties of UF membranes have been suggested in the literature: solvent and gas flow measurement, bubble point determination, electron microscopy, gas adsorption/desorption measurement, rejection measurement etc. But most of these methods involve time-consuming procedures and involve some wellknown problems and uncertainties.

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Variation of Morphology of Solid Particles and Microstructure in Al-Si, Al-Cu and Mg-Al Alloys During Isothermal Heat-Treatment at Semi-Solid Temperatures (반고상 온도구역에서 등온유지한 Al-Si, Al-Cu 및 Mg-Al합금의 고상형상 및 조직의 변화)

  • Jung, Woon-Jae;Kim, Ki-Tae;Hong, Chun-Pyo
    • Journal of Korea Foundry Society
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    • v.16 no.6
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    • pp.556-564
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    • 1996
  • Variation of shape and size of solid particles and solute redistribution in Mg-9wt.%Al, AI-4.5wt.% Cu, and AI-7wt.%Si alloys were investigated when they were heated to semi-solid temperatures and held without stirring. In the case of Mg-9wt.% Al and Al-4.5wt.%Cu alloys, the polygonal shaped solid particles were agglomerated with non-uniform distribution, and there were no disappearance of the solid/solid boundary until the end of melting. But in the case of an Al-7wt.%Si alloys, two or three spherical shaped particles were coalesced or separated individually, and the coalesced particles had no solid/solid interface on the contrary to the prevous case. The maximum size of solid particles during isothermal heating at high temperature was smaller than that at lower temperature, but the time required to reach the maximum size at high temperature was shorter than that at lower temperature. The concentrations of main solute atom whose distribution coefficient is lower than 1, decreased in the primary solid particles as the liquid fraction increased, and the gradient of solute concentration was steeper in Mg-9wt.%Al alloy and Al-4.5wt.%Cu alloy than that of Al-7wt.%Si alloy.

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