• Nuclear Engineering and Technology
• /
• v.56 no.8
• /
• pp.3242-3254
• /
• 2024

With the increasing usage of nuclear energy, how to properly dispose nuclear waste becomes a critical issue. In this study, a multiscale modeling approach combining the experimental findings is presented to address the illitization process, its impact on transport properties, and system behavior of bentonite buffer in engineered barrier systems (EBS). Through the pore-scale modeling, reactive transport properties such as illite generation rate and effective diffusion coefficient of potassium ion as a function of porosity and temperature are quantified by employing the findings of hydrothermal reaction experiments of Bentonil-WRK. The capability of pore-scale modeling has been developed based on the Darcy-Brinkmann-Stokes equation, involving the processes of smectite illitization and clay swelling. Obtained reactive transport properties are utilized as input parameters for the macroscale modeling to predict the long-term behavior of bentonite buffer in EBS. As such, this study involves the whole workflow of quantifying the reaction parameters of smectite illitization through the hydrothermal reaction experiments, and numerically modeling the reactive transport process of smectite illitization in bentonite buffer of EBS from pore-scale to macroscale. The presented multiscale modeling findings are expected to provide reliable solution for safe nuclear waste disposal with EBS.

• Membrane Journal
• /
• v.3 no.3
• /
• pp.94-107
• /
• 1993

Many researchers have discussed how membrane performance can be enhanced through an understanding of polymer science and engineering. The understandings of transport in porous membrane are used to achieve the isolation of certain components from mixtures. Particular emphasis is placed on the applicability of membrane separations for the isolation of macromolecules[1]. An awareness of membrane structure characteristics is required for the rational design of membranes for specific and/or new applications. This understanding rests on the knowledge of fields such as polymer thermodynamics[2], polymer adsorption [3, 4], diffusion in polymers[5, 6], reaction mechanism[7], and the dynamic behavior[8, 9] of polymer in porous membrane.

• Journal of the Korean Ceramic Society
• /
• v.40 no.10
• /
• pp.1015-1020
• /
• 2003

The Corrosion behavior of the matrix of the $\rho$-alumina bonded alumina vibrated castable was, on the basis of Jabsen's theory, elucidated by use of the Kingery's reaction mechanism. Corrosion of the matrix during induction period was controlled by the molecular diffusion. The temperature dependence of activation process is well established by the Arrhenius plots. The difference of Ca concentration between slag and interface is 23.2%, which causes a driving force of the materials transfer. The extent of the corrosion of the matrix is more deeper than that of the sintered mullite, but the corrosion mechanism can be well employed as the reaction mechanism proposed by the Kingery. The life time of the castable may be well estimated by the corrosion mechanism of Kingery.

• Korean Journal of Materials Research
• /
• v.25 no.4
• /
• pp.202-208
• /
• 2015

Alumina dispersion strengthening copper(ADSC) alloy has great potential for use in many industrial applications such as contact supports, frictional break parts, electrode materials for lead wires, and spot welding with relatively high strength and good conductivity. In this study, we investigated the oxidation behavior of ADSC alloys. These alloys were fabricated in forms of plate and round type samples by surface oxidation reaction using Cu-0.8Al, Cu-0.4Al-0.4Ti, and Cu-0.6Al-0.4Ti(wt%) alloys. The alloys were oxidized at $980^{\circ}C$ for 1 h, 2 h, and 4 h in ambient atmosphere. The microstructure was observed with an optical microscope(OM) and a scanning electron microscope(SEM) equipped with energy-dispersive X-ray spectroscopy(EDS). Characterization of alumina was carried out using a 200 kV field-emission transmission electron microscope(TEM). As a result, various oxides including Ti were formed in the oxidation layer, in addition to ${\gamma}$-alumina. The thickness of the oxidation layer increased with Ti addition to the Cu-Al alloy and with the oxidation time. The corrected diffusion equation for the plate and round type samples showed different oxidation layer thickness under the same conditions. Diffusion length of the round type specimen had a value higher than that of its plate counterpart because the oxygen concentration per unit area of the round type specimen was higher than that of the plate type specimen at the same diffusion depth.

• Bulletin of the Korean Mathematical Society
• /
• v.51 no.5
• /
• pp.1357-1368
• /
• 2014

This paper is concerned with a reaction-diffusion single species model with harvesting on n-dimensional isotropically growing domain. The model on growing domain is derived and the corresponding comparison principle is proved. The asymptotic behavior of the solution to the problem is obtained by using the method of upper and lower solutions. The results show that the growth of domain takes a positive effect on the asymptotic stability of positive steady state solution while it takes a negative effect on the asymptotic stability of the trivial solution, but the effect of the harvesting rate is opposite. The analytical findings are validated with the numerical simulations.

• Transactions of the Korean Society of Machine Tool Engineers
• /
• v.16 no.3
• /
• pp.133-140
• /
• 2007

A 2-D model of fluid flow, mass transport and electrochemistry is analysed to examine the effect of current density at the current collector depending on active layer thickness of catlyst in polymer elecrolyte fuel cells. The finite element method is used to solve the continuity, potential and Maxwell-Stefan equations in the flow channel and gas diffusion electrode regions. For the material behavior of electrode reactions in the active catalyst layers, the agglomerate model is implemented to solve the diffusion-reaction problem. The calculated model results are described and compared with the different thickness of active catalyst layers. The significance of the results is discussed in the viewpoint of the current collecting capabilities as well as mass transportation phenomena, which is inferred that the mass transport of reactants dictates the efficiency of the electrode in the present analysis.

• 연구논문집
• /
• s.25
• /
• pp.175-184
• /
• 1995

Mechanical properties of the gas nitrocarburized product depend on the surface compound layer and the diffusion zone formed. The compound layer improves the wear resistance, and the corrosion resistance. Though phase composition, pore layer and growth rate of the compound layer varies according to the treatment time, temperature and the kind of the steel substrate, they are strongly influenced by the environmental gas composition. In the current study, the growth behavior of the compound layer and diffusion zone of the carbon steel and the alloy steel upon nitrocarburizing treatment at $570^{\circ}C$, and the phase composition and the variation in the growth rate of the compound layer according to the variation of the gas environment which was the medium of the nitriding and carburizing reaction were investigated.

• Journal of the Korean Chemical Society
• /
• v.39 no.5
• /
• pp.356-363
• /
• 1995

The chemical behavior of the transition metal (Nb4+ and Mo4+) complexes with organoligand (dichloro-bis(η-cyclopentadienyl) has been investigated by the UV/vis-spectrophotometric, magnetic, and electrochemical method. The two or three energy absorption bands are observed by the spectra of these complexes. The magnitude of crystal field splitting energy, the spin pairing energy and bond strength was obtained from the spectra of the complexes. These are found to be delocalization, low-spin state, and strong bonding strength. The magnetic dipolemoment are found to be paramagnetic and diamagnetic complexes. The redox reaction processes of complexes were investigated by cyclic voltammetry in aprotic media. As a result the redox reaction proceses of Nb-C complex was couple-single reaction with diffusion and reaction current one electron process, and also Mo-C complex was couple-single reaction with reaction current of one electron process.

• Journal of Hydrogen and New Energy
• /
• v.18 no.2
• /
• pp.171-181
• /
• 2007

Blending effects of hydrogen and water vapor on flame structure and NOx emission behavior are numerically studied with detailed chemistry in methane-air counterflow diffusion flames. The composition of fuel is systematically changed from pure methane and pure hydrogen to the blending fuels of methane-hydrogen-water vapor through the molar addition of $H_2O$. Flame structure is changed considerably for hydrogen-blending methane flames and hydrogen-blending methane flames diluted with water vapor in comparison to pure methane flame. These complicated changes of flame structures also affect NOx emission behavior considerably. The changes of thermal NO and Fenimore NO are analyzed for various combinations of the fuel composition. Importantly contributing reaction steps to thermal NO and Fenimore NO are addressed in pure methane, hydrogen-blending methane flames, and hydrogen-blending methane flames diluted with water vapor.

• Journal of Hydrogen and New Energy
• /
• v.1 no.1
• /
• pp.1-8
• /
• 1989

The hydriding kinetic mechanism and the change of the hydriding reaction rate of $MmNi_{4.5}Al_{0.5}$ during the thermally induced hydrogen absorption-desorption cycling are investigated. Comparison of the reaction rate data which are obtained by the pressure sweep method with the theoretical rate equations suggests that the hydriding rate controlling step has changed from the dissociative chemisorption of hydrogen molecules at the surface to the hydrogen diffusion through the hydride phase with the increase of the hydriding fraction. These hydriding kinetic mechanism is not changed during the cycling. However, the intrinsic hydriding reaction rate of $MmNi_{4.5}Al_{0.5}$ after 5500 cycles increases significantly comparing with the activated one. It is suggested that the change of the hydriding kinetic behavior due to intrinsic degradation of $MmNi_{4.5}Al_{0.5}$ can be interpreted as follows ; the formation of nickel cluster at the surface of the sample and the host metal atom exchange in bulk by thermal cycling.