• Interaction and multiscale mechanics
• /
• v.6 no.2
• /
• pp.127-136
• /
• 2013

In this study, atomistic simulations are performed to study the effect of Al solute on the behaviour of edge dislocation in Mg alloys. After the dissociation of an Mg basal edge dislocation into two Shockley partials using molecular mechanics, the interaction between the dislocation and Al solute at different temperatures is studied using molecular dynamics. It appears from the simulations that the critical shear stress increases with the Al solute concentration. Comparing with the solute effect at T = 0 K, however, the critical shear stress at a finite temperature is lower since the kinetic energy of the atoms can help the dislocation conquer the energy barriers created by the Al atoms. The velocity of the edge dislocation decreases as the Al concentration increases when the external shear stress is relatively small regardless of temperature. The Al concentration effect on the dislocation velocity is not significant at very high shear stress level when the solute concentration is below 4.0 at%. Drag coefficient B increases with the Al concentration when the stress to temperature ratio is below 0.3 MPa/K, although the effect is more significant at low temperatures.

• Bulletin of the Korean Chemical Society
• /
• v.23 no.3
• /
• pp.459-468
• /
• 2002

Literature data measured by the author have been processed to report on the effect of solute structure on gas liquid partition coefficients of eleven normal, branched and cyclic alkanes ranging in carbon number from five to nine in sixty nine low molecular weight liquids. The alkane solutes are n-pentane(p), n-hexane(hx), n-heptane(hp), n-octane(o), n-nonane(n), 2-methylpentane(mp), 2,5-dimethylpentane(dp), 2,5-dimethylhexane(dh), 2,3,4-trimethylpentane(tp), cyclohexane(ch), and ethylcyclohexane(ec). The solvent set encompasses most of those studied by Rohrschneider as well as three homologous series of solvents (n-alkanes, 1-alcohols and 1-nitriles) and several perfluorinated alkanes and highly fluorinated alcohols. An excellent linear relationship was observed between lnK and the carbon number of n-alkanes. The effective carbon numbers of branched and cyclic alkanes were determined in a similar fashion to the method of Kovats index. We found that the logarithm of solute vapor pressure multiplied by solute molar volume was a perfect descriptor for the linear relationship with the median effective carbon number.

• Proceedings of the Membrane Society of Korea Conference
• /
• 1996.10a
• /
• pp.3-7
• /
• 1996

A rigorous analysis on the effect of colloidal interactions on the separation characteristic has been extended to the case of non-dilute charged solute concentration. The solute partitioning within slit pores for a wide range of solute concentration has been predicted by performing the Monte Carlo technique. Using a hindered transport model, rejection coefficients have been estimated from the predicted concentration profile.

• Bulletin of the Korean Chemical Society
• /
• v.21 no.1
• /
• pp.105-109
• /
• 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.

• KSCE Journal of Civil and Environmental Engineering Research
• /
• v.29 no.1B
• /
• pp.73-81
• /
• 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.

• Journal of Korea Water Resources Association
• /
• v.55 no.1
• /
• pp.23-32
• /
• 2022

This paper performs two-dimensional numerical simulation of surface water-groundwater coupled flow and solute transport to investigate the effect of the hyporheic exchange at the sediment-water interface (SWI) on surface solute transport. For the impermeable bed case in the absence of hyporheic flow, the trapping effect of flow recirculation associated with the ripple bed controls the shape of breakthrough curves (BTCs). However, the permeable bed case with hyporheic flow stimulates the extended tailing of the BTCs more significantly due to the elevated concentration of the BTC tailing resulting from slow hyporheic velocity. Also, the increased bottom pressure at the SWI with an increase in surface velocity shortens the BTC tailing because of increasing hyporheic velocity. These results infer that hyporhiec flow is critically important in predicting solute residence times in surface water.

• Advances in environmental research
• /
• v.5 no.4
• /
• pp.263-282
• /
• 2016

Contaminant transport in groundwater induces major threat and harmful effect on the environment; hence, the fate of the contaminant migration in groundwater is seeking a lot of attention. In this paper a two dimensional numerical flow and transport model through saturated layered soil is developed. Groundwater flow and solute transport has been simulated numerically using proposed model. The model implements the finite volume time splitting method to discretize the main equations. The performance, accuracy and efficiency of the out coming numerical models have been successfully examined by two test cases. The verification test cases consist of two-dimensional, groundwater flow and solute transport. The final purpose of this paper is to discuss and compare the shape of contaminant plume in homogeneous and heterogeneous media with different soil properties and control of solute transport using a zone for minimizing the potential of groundwater contamination; furthermore, this model leads to select the effective and optimum remedial strategies for cleaning the contaminated aquifers.

• Korean Journal of Metals and Materials
• /
• v.47 no.2
• /
• pp.71-78
• /
• 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.

• Water Engineering Research
• /
• v.6 no.2
• /
• pp.49-61
• /
• 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.

• Journal of Korean Society of Water and Wastewater
• /
• v.28 no.1
• /
• pp.83-89
• /
• 2014

The aim of this study is to investigate the sorption/ion exchange of radioactive nuclides such as $Cs^+$ and $Sr^{2+}$ by synthetic Na-micas. In order to prepare Na-micas, two natural micas (phlogopite and biotite) were used as precursor materials. XRD, SEM, and EDS analyses were used to examine material characterization of synthetic Na-micas. Analyses of materials revealed that Na-micas were successfully obtained from natrual micas by K removal treatment. On the other hand, single solute (Cs or Sr) and bi-solute (Cs/Sr) sorption experiments were carried out to determine sorption capacity of Na-micas for Cs and Sr under different pH and ionic strength conditions. Uptake of Cs and Sr by micas in bi-solute system was lower than in single-solute system. Additionally, Langmuir and Langmuir competitive models were applied to describe sorption isotherm of Na-micas. bi-solute system was well described by Langmuir competitive models. For the results obtained in this study, Na-micas could be promising sorbents to treat multi-radioactive species from water and groundwater.