• Korean Chemical Engineering Research
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• v.58 no.3
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• pp.458-465
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• 2020

Isotherms, kinetics and thermodynamic properties for adsorption of acid fuchsin (AF) dye by activated carbon were carried out using variables such as dose of adsorbent, pH, initial concentration and contact time and temperature. The effect of pH on adsorption of AF showed a bathtub with high adsorption percentage in acidic (pH 8). Isothermal adsorption data were fitted to the Freundlich, Langmuir, and Dubinin-Radushkevich isotherm models. Freundlich isothem model showed the highest agreement and confirmed that the adsorption mechanism was multilayer adsorption. It was found that adsorption capacity increased with increasing temperature. Freundlich's separation factor showed that this adsorption process was an favorable treatment process. Estimated adsorption energy by Dubinin-Radushkevich isotherm model indicated that the adsorption of AF by activated carbon is a physical adsorption. Adsorption kinetics was found to follow the pseudo-second-order kinetic model. Surface diffusion at adsorption site was evaluated as a rate controlling step by the intraparticle diffusion model. Thermodynamic parameters such as activation energy, Gibbs free energy, enthalpy entropy and isosteric heat of adsorption were investigated. The activation energy and enthalpy change of the adsorption process were 21.19 kJ / mol and 23.05 kJ / mol, respectively. Gibbs free energy was found that the adsorption reaction became more spontaneously with increasing temperature. Positive entropy was indicated that this process was irreversible. The isosteric heat of adsorption was indicated physical adsorption in nature.

• Journal of The Korean Astronomical Society
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• v.47 no.2
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• pp.77-86
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• 2014

Using a cosmological ${\Lambda}CDM$ simulation, we analyze the differences between the widely-used spin parameters suggested by Peebles and Bullock. The dimensionless spin parameter ${\lambda}$ proposed by Peebles is theoretically well-justified but includes an annoying term, the potential energy, which cannot be directly obtained from observations and is computationally expensive to calculate in numerical simulations. The Bullock's spin parameter ${\lambda}^{\prime}$ avoids this problem assuming the isothermal density profile of a virialized halo in the Newtonian potential model. However, we find that there exists a substantial discrepancy between ${\lambda}$ and ${\lambda}^{\prime}$ depending on the adopted potential model (Newtonian or Plummer) to calculate the halo total energy and that their redshift evolutions differ to each other significantly. Therefore, we introduce a new spin parameter, ${\lambda}^{\prime\prime}$, which is simply designed to roughly recover the value of ${\lambda}$ but to use the same halo quantities as used in ${\lambda}^{\prime}$. If the Plummer potential is adopted, the ${\lambda}^{\prime\prime}$ is related to the Bullock's definition as ${\lambda}^{\prime\prime}=0.80{\times}(1+z)^{-1/12}{\lambda}^{\prime}$. Hence, the new spin parameter ${\lambda}^{\prime\prime}$ distribution becomes consistent with a log-normal distribution frequently seen for the ${\lambda}^{\prime}$ while its mean value is much closer to that of ${\lambda}$. On the other hand, in case of the Newtonian potential model, we obtain the relation of ${\lambda}^{\prime\prime}=(1+z)^{-1/8}{\lambda}^{\prime}$; there is no significant difference at z = 0 as found by others but ${\lambda}^{\prime}$ becomes more overestimated than ${\lambda}$ or ${\lambda}^{\prime\prime}$ at higher redshifts. We also investigate the dependence of halo spin parameters on halo mass and redshift. We clearly show that although the ${\lambda}^{\prime}$ for small-mass halos with $M_h$ < $2{\times}10^{12}M_{\odot}$ seems redshift independent after z = 1, all the spin parameters explored, on the whole, show a stronger correlation with the increasing halo mass at higher redshifts.

• Clean Technology
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• v.27 no.3
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• pp.261-268
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• 2021

Equilibrium, kinetics, and thermodynamics of adsorption of acid black 1 (AB1) by coal-based granular activated carbon (CGAC) were investigated with the adsorption variables of initial concentration of dye, contact time, temperature, and pH. The adsorption reaction of AB1 by activated carbon was caused by electrostatic attraction between the surface (H⁺) of activated carbon and the sulfite ions (SO₃^-) and nitrite ions (NO₂^-) possessed by AB1, and the degree of reaction was highest at pH 3 (97.7%). The isothermal data of AB1 were best fitted with Freundlich isotherm model. From the calculated separation factor (1/n) of Freundlich, it was confirmed that adsorption of AB1 by activated carbon could be very effective. The heat of adsorption in the Temkin model suggested a physical adsorption process (< 20 J mol^-1). The kinetic experiment favored the pseudo second order model, and the equilibrium adsorption amount estimated from the model agreed to that given by the experiments (error < 9.73% ). Intraparticle diffusion was a rate controlling step in this adsorption process. From the activation energy and enthalpy change, it was confirmed that the adsorption reaction is an endothermic reaction proceeding with physical adsorption. The entropy change was positive because of an active reaction at the solid-liquid interface during adsorption of AB1 on the activated carbon surface. The free energy change indicated that the spontaneity of the adsorption reaction increased as the temperature increased.

• Journal of the Korean Institute of Gas
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• v.21 no.4
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• pp.1-5
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• 2017

Leaking of natural gas, which is mostly methane, in a confined living space creates flammable atmosphere and gives rise to explosion accident. The minimum amount of leaked methane for explosion is highly dependent on the degree of mixing in the confined space. This paper proposes a method for estimating minimum amount of flammable gas for explosion by using Gaussian distribution explosion model(GDEM) and experimental explosion data. The explosion pressure in the confined space can be estimated by assuming the Gaussian distribution of flammable gas along the height of an enclosure and estimating the maximum amount of gas within flammable limits, combustion of the estimated gas with constant volume and adiabatic or isothermal mixing in the confined space. The predicted minimum gas amount for an explosion is tied to explosion pressure that results in a given building damage level. The result shows that very small amount of methane leaking in the confined space may results in a serious gas explosion accident. This result could be applied not only to setting the leak criteria for developing a gas safety appliance but also to accident investigating of explosion.

• Transactions of the Korean Society of Automotive Engineers
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• v.20 no.6
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• pp.73-82
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• 2012

The main and side reactions of the three selective catalytic reduction (SCR) reactions with ammonia over a vanadium-based catalyst have been investigated using synthetic gas mixtures in the temperature range of $170{\sim}590^{\circ}C$. The three SCR reactions are standard SCR with pure NO, fast SCR with an equimolar mixture of NO and $NO_2$, and $NO_2$ SCR with pure $NO_2$. Vanadium based catalyst has no significant activity in NO oxidation to $NO_2$, while it has high activity for $NO_2$ decomposition at high temperatures. The selective catalytic oxidation of ammonia and the formation of nitrous oxide compete with the SCR reactions at the high temperatures. Water strongly inhibits the selective catalytic oxidation of ammonia and the formation of nitrous oxide, thus increasing the selectivity of the SCR reactions. However, the presence of water inhibits the SCR activity, most pronounced at low temperatures. In this study, the experimental results are analyzed by means of a dynamic one-dimensional isothermal heterogeneous plug-flow reactor (PFR) model according to the Eley-Rideal mechanism.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.37 no.10
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• pp.961-969
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• 2013

In this study, the numerical analysis of a turbulent flow around both a staggered and an inline tube bundle was conducted using ANSYS CFX V.13, a commercial CFD software. The flow was assumed to be steady, incompressible, and isothermal. According to the CFD Best Practice Guideline, the sensitivity study for grid size, accuracy of the discretization scheme for convection term, and turbulence model was conducted, and its result was compared with the experimental data to estimate the applicability of the CFD Best Practice Guideline. It was concluded that the CFD Best Practice Guideline did not always guarantee an improvement in the prediction performance of the commercial CFD software in the field of tube bundle flow.

• Transactions of the Korean hydrogen and new energy society
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• v.29 no.1
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• pp.41-55
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• 2018

General polymer electrolyte fuel cell (PEMFC) operates at less than $80^{\circ}C$. Therefore liquid phase water resulting from electrochemical reaction accumulates and floods the cell which in turn increases the mass transfer loss. To prevent the flooding, it is common to employ serpentine flow channel, which can efficiently export liquid phase water to the outlet. The major drawback of utilizing serpentine flow channel is the large pressure drop that happens between the inlet and outlet. On the other hand, in the high temperature polymer electrolyte fuel cell (HT-PEMFC), since the operating temperature is 130 to $180^{\circ}C$, the generated water is in the state of gas, so the flooding phenomenon is not taken into consideration. In HT-PEMFCs parallel flow channel with lower pressure drop between the inlet and outlet is employed therefore, in order to circulate hydrogen and air in the cell less pumping power is required. In this study we analyzed HT-PEMFC's different flow channels by parallel computation using previously developed 3-D isothermal model. All the flow channels had an active area of $25cm^2$. Also, we numerically compared the performance of HT-PEMFC parallel flow channel with different manifold area and Rib interval against the original serpentine flow channel. Results of the analysis are shown in the form of three-dimensional contour polarization curves, flow characteristics in the channel, current density distribution in the Membrane, overpotential distribution in the catalyst layer, and hydrogen and oxygen concentration distribution. As a result, the performance of a real area fuel cell was predicted.

• Bulletin of the Korean Chemical Society
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• v.23 no.3
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• pp.447-453
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• 2002

In this paper we have presented the results of thermodynamic, structural, and dynamic properties of model systems for liquid benzene, toluene and p-xylene in an isobaric-isothermal (NpT) ensemble at 283.15, 303.15, 323.15, and 343.15 K using molecular dynamics (MD) simulation. This work is initiated to compensate for our previous canonical (NVT) ensemble MD simulations [Bull. Kor. Chem. Soc. 2001, 23, 441] for the same systems in which the calculated pressures were too low. The calculated pressures in the NpT ensemble MD simulations are close to 1 atm and the volume of each system increases with increasing temperature. The first and second peaks in the center of mass g(r) diminish gradually and the minima increase as usual for the three liquids as the temperature increases. The three peaks of the site-site gC-C(r) at 283.15 K support the perpendicular structure of nearest neighbors in liquid benzene. Two self-diffusion coefficients of liquid benzene via the Einstein equation and via the Green-Kubo relation are in excellent agreement with the experimental measures. The self-diffusion coefficients of liquid toluene and p-xylene are in accord with the trend that the self-diffusion coefficient decreases with increasing number of methyl group. The friction constants calculated from the force auto-correlation (FAC) function with the assumption that the fast random force correlation ends at time which the FAC has the first negative value give a correct qualitative trends: decrease with increase of temperature and increase with the number of methyl group. The friction constants calculated from the FAC's are always less than those obtained from the friction-diffusion relation which reflects that the random FAC decays slower than the total FAC as described by Kubo [Rep. Prog. Phys. 1966, 29, 255].

• Applied Chemistry for Engineering
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• v.17 no.3
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• pp.296-302
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• 2006

The kinetics of the thermal-oxidative decomposition of waste polyurethane (PU) according to oxygen concentration has been studied using a non-isothermal thermogravimetric technique at several heating rates from 10 to $50^{\circ}C/min$. A kinetic model accounting for the effects of the oxygen concentration by the differential and integral method based on Arrhenius equation was proposed to describe the thermal-oxidative decomposition of waste PU. To obtain the information on the kinetic parameters such as activation energy, reaction order, and pre-exponential factor, the thermogravimetric analysis curves and its derivatives have been analyzed using the kinetic analysis method proposed in this work. From this work, it was found that reaction orders for oxygen concentration had a negative sign, and activation energy decreased as the oxygen concentration increased. It was also found that the kinetic parameters obtained from the integral method using the single heating rate experiments varied with heating rates. Therefore, it is thought that the differential method using the multiple heating rate experiments more effectively represents the thermal-oxidative decomposition of waste polyurethane.

• Journal of The Korean Astronomical Society
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• v.48 no.2
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• pp.155-164
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• 2015

In Kang (2015) we calculated the acceleration of cosmic-ray electrons at weak spherical shocks that are expected to form in the cluster outskirts, and estimated the diffuse synchrotron radiation emitted by those electrons. There we demonstrated that, at decelerating spherical shocks, the volume integrated spectra of both electrons and radiation deviate significantly from the test-particle power-laws predicted for constant planar shocks, because the shock compression ratio and the flux of inject electrons decrease in time. In this study, we consider spherical blast waves propagating through a constant density core surrounded by an isothermal halo with ρ ∝ r⁻ⁿ in order to explore how the deceleration of the shock affects the radio emission from accelerated electrons. The surface brightness profile and the volumeintegrated radio spectrum of the model shocks are calculated by assuming a ribbon-like shock surface on a spherical shell and the associated downstream region of relativistic electrons. If the postshock magnetic field strength is about 0.7 or 7 µG, at the shock age of ∼ 50 Myr, the volume-integrated radio spectrum steepens gradually with the spectral index from α_inj to α_inj + 0.5 over 0.1–10 GHz, where α_inj is the injection index at the shock position expected from the diffusive shock acceleration theory. Such gradual steepening could explain the curved radio spectrum of the radio relic in cluster A2266, which was interpreted as a broken power-law by Trasatti et al. (2015), if the relic shock is young enough so that the break frequency is around 1 GHz.