• Korean Journal of Materials Research
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• v.15 no.5
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• pp.348-352
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• 2005

Gallium oxyhydroxide (GaOOH) powders were heat-treated in a flowing ammonia gas to form GaN, and the reaction kinetics of the oxide to nitride was quantitatively determined by X-ray diffraction analysis. GaOOH turned into intermediate mixed phases of $\alpha-\;and\;\beta-Ga_2O_3$, and then single phase of GaN. The reaction time for full conversion $(t_c)$ decreased as the temperature increased. There were two-types of rapid reaction processes with the reaction temperature in the initial stage of nitridation at below $t_c$, and a relatively slow processes followed over $t_c$ does not depends on temperatures. The nitridation process was found to be limited by the rate of an interfacial reaction with the reaction order n value of 1 at $800^{\circ}C$ and by the diffusion-limited reaction with the n of 2 at above $1000^{\circ}C$, respectively, at below $t_c$. The activation energy for the reaction was calculated to be 1.84 eV in the temperature of below $830^{\circ}C$, and decreased to 0.38 eV above $830^{\circ}C$. From the comparative analysis of data, it strongly suggest the rate-controlling step changed from chemical reaction to mass transport above $830^{\circ}C$.

• Computers and Concrete
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• v.10 no.5
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• pp.523-539
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• 2012

Silica fume has long been used as a mineral admixture to improve the durability and produce high strength and high performance concrete. And in marine and coastal environments, penetration of chloride ions is one of the main mechanisms causing concrete reinforcement corrosion. In this paper, we proposed a numerical procedure to predict the chloride diffusion in a hydrating silica fume blended concrete. This numerical procedure includes two parts: a hydration model and a chloride diffusion model. The hydration model starts with mix proportions of silica fume blended concrete and considers Portland cement hydration and silica fume reaction respectively. By using the hydration model, the evolution of properties of silica fume blended concrete is predicted as a function of curing age and these properties are adopted as input parameters for the chloride penetration model. Furthermore, based on the modeling of physicochemical processes of diffusion of chloride ion into concrete, the chloride distribution in silica fume blended concrete is evaluated. The prediction results agree well with experiment results of chloride ion concentrations in the hydrating concrete incorporating silica fume.

• Journal of the Korean Society of Safety
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• v.26 no.1
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• pp.21-26
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• 2011

Extinction and ignition characteristics of $CH_4$-air counterflow diffusion flame were numerically investigated using a Flame-Controlling Method(FCM). A skeletal reaction mechanism, which adopts 17 species and 58 reactions, was used in the simulation. The extinction and ignition conditions of the $CH_4$-air diffusion flames were investigated with varying the global strain rate. Upper and middle branches of S-curve for the peak temperature in the inverse of the global strain rate space were obtained with the FCM. The structures of diffusion flames in the upper and middle branches of S-curve were compared. It was found that the global strain rate was not correlated with the local strain rate well in the low global strain rate region. It is expected that the FCM is very useful to obtaining the extinction and ignition condition of diffusion flame, such as fires.

• Journal of the Korea institute for structural maintenance and inspection
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• v.19 no.1
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• pp.128-138
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• 2015

Carbonation is one of the most critical deterioration phenomena to concrete structures exposed to high $CO_2$ concentration, sheltered from rain. Lots of researches have been performed on evaluation of carbonation depth and changes in hydrate compositions, however carbonation modeling is limitedly carried out due to complicated carbonic reaction and diffusion coefficient. This study presents a simplified carbonation model considering diffusion coefficient, solubility of $Ca(OH)_2$, porosity reduction, and carbonic reaction rate for low concentration. For verification, accelerated carbonation test with varying temperature and MIP (Mercury Intrusion Porosimetry) test are carried out, and carbonation depths are compared with those from the previous and the proposed model. Field data with low $CO_2$ concentration is compared with those from the proposed model. The proposed model shows very reasonable results like carbonation depth and consuming $Ca(OH)_2$ through reduced diffusion coefficient and porosity compared with the previous model.

• Applied Chemistry for Engineering
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• v.35 no.1
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• pp.48-53
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• 2024

We predicted the calendar aging and long-term lifetime of lithium-ion batteries using an electrochemical-based SEI growth model. Numerical simulation was carried out employing the four different long-term SEI growth models (i.e., solvent diffusion limited model, electron migration limited model, Li-interstitial diffusion limited model, reaction limited model), and we calculated the capacity fade and loss of lithium inventory during calendar aging. The result showed that the electron migration limited model and Li-interstitial diffusion limited model showed lower capacity fade, while the solvent diffusion limited model and reaction limited model reached 80% of capacity fade within 10 years. During calendar aging, the lower storage temperature showed less capacity fade due to the hindrance of SEI growth rate. During cycling, the higher C-rate showed a shorter life cycle; however, the differences were not significant.

• Applied Biological Chemistry
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• v.37 no.5
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• pp.414-420
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• 1994

Birnessite, pyrolusite and hausmannite were synthesized and tested for the ability to oxidize Cr(III) to Cr(VI). These oxides differed in zero point of charge, surface area, and crystallinity. The kinetic study showed that Cr(III) oxidation on the Mn-oxide surface is a first-order reaction. The reaction rate was various for different oxide at different conditions. Generally the reaction by hausmannite, containing Mn(III), was faster than the others, and oxidation by pyrolusite was much slower. Solution pH and initial Cr(III) concentration had a significant effect on the reaction. Inhibited oxidation at higher pH and initial Cr(III) concentration could be due to the chance of Cr(III) precipitation or complexing on the oxide surface. Oxidations by birnessite and hausmannite were faster at lower pH, but pyrolusite exhibited increased oxidation capacity at higher pH in the range between 3.0 and 5.0. Reactions were also temperature sensitive. Although calculated activation energies for the oxidation reactions at pH 3.0 were higher than the general activation energy for diffusion, there is no experimental evidence to suggest which reaction is the rate limiting step.

• Journal of the Korean Ceramic Society
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• v.36 no.6
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• pp.655-661
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• 1999

${\beta}$-SiC formation mechanism in Si melt-C-SiC system with varying in size of carbon source was investigated. A continuous reaction sintering process using Si melt infiltration method was adopted to control the reaction sintering time effectively. It was found that ${\beta}$-SiC formation mechanism in Si melt-C-SiC system was directly affected by the size of carbon source. In the Si melt-C-SiC system with large carbon source ${\beta}$-SiC formation mechanism could be divided into two stages depending on the reaction sintering time: in early stage of reaction sintering carbon dissolution in Si melt and precipitation of ${\beta}$-SiC was occurred preferentially and then SIC nucleation and growth was controlled by diffusion of carbon throughy the ${\beta}$-SiC layer formed on graphite particle. Furthmore a dissolution rate of graphite particles in Si melt could be accelerated by the infiltration of Si melt through basal plane of graphite crystalline.

• Environmental Sciences Bulletin of The Korean Environmental Sciences Society
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• v.10 no.S_4
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• pp.173-179
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• 2001

The chemical behavior and properties of the redox state of environmental pollutants was investigated using electrochemical methods. The purpose was to measure the variations in the redox reaction of differential pulse polarograms and cyclic voltammograms. The results observed the influences on redox potential and current of various factors including concentration, temperature, salt, and pH. These were established factors as the effect of the redox reaction. It can be clearly recognized that the electrode reaction are from reversible to irreversible processes. Also, it was mixing with reaction current controlled.

• Nuclear Engineering and Technology
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• v.50 no.1
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• pp.145-150
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• 2018

A new methodology, the crack-spallation model, has been developed to analyze gas-solid reactions dominated by crack growth inside of the solid reactant and spallation phenomena. The new model physically represents three processes of the reaction progress: (1) diffusion of gas reactant through pores; (2) growth of product particle in pores; and (3) crack and spallation of solid reactant. The validation of this method has been conducted by comparison of results obtained in an experiment for oxidation of $UO_2$ and the shrinking core model. The reaction progress evaluated by the crack-spallation model shows better agreement with the experimental data than that evaluated by the shrinking core model. To understand the trigger point during the reaction progress, a detailed analysis has been conducted. A parametric study also has been performed to determine mass diffusivities of the gas reactant and volume increase constants of the product particles. This method can be appropriately applied to the gas-solid reaction based on the crack and spallation phenomena such as the voloxidation process.

• Journal of Korean Society for Atmospheric Environment
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• v.6 no.2
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• pp.161-167
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• 1990

The reaction of sulfur dioxide with cupric oxide supported on zeolite was investigated over a temperature range of $250{\sim}450^{{\circ}C$. After the completion of the $SO_2$ removal reaction, the cupric sulfate produced was regenerated to copper by hydrogen or LPG. The experimental results showed that the removal efficiency of $SO_2$ was improved with temperature increase and with $SO_2$ inlet concentration decrease. The reaction of $SO_2$ with CuO/Zeolite was well explained by the shrinking unreacted core model using first order chemical reaction control and diffusion control. THe reaction rate constant and the effective diffusivity were respectively as follows: 1k (cm/s) = 2.519 exp[-10991 (cal/mol)/RT] $De(cm^2/s) = 2.06 \times 10^{-5} exp[-8380 (cal/mol)/RT]$