• Journal of the Korean Chemical Society
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• v.67 no.6
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• pp.407-414
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• 2023

The present study uses quasi-classical trajectory procedures to examine the vibrational relaxation and dissociation of the methyl and ring C-H bonds in excited methylpyrazine (MP) during collision with either N₂ or O₂. The energy-loss (-ΔE) of the excited MP is calculated as the total vibrational energy (E_T) of MP is increased in the range of 5,000 to 40,000cm^-1. The results indicate that the collision-induced vibrational relaxation of MP is not large, increasing gradually with increasing E_T between 5,000 and 30,000 cm^-1, but then decreasing with the further increase in E_T. In both N₂ and O₂ collisions, the vibrational relaxation of MP occurs mainly via the vibration-to-translation (V→T) and vibration-to-vibration (V→V) energy transfer pathways, while the vibration-to-rotation (V→R) energy transfer pathway is negligible. In both collision systems, the V→T transfer shows a similar pattern and amount of energy loss in the ET range of 5,000 to 40,000cm^-1, whereas the pattern and amount of energy transfer via the V→V pathway differs significantly between two collision systems. The collision-induced dissociation of the C-H_methyl or C-H_ring bond occurs when highly excited MP (65,000-72,000 cm^-1) interacts with the ground-state N₂ or O₂. Here, the dissociation probability is low (10^-4-10^-1), but increases exponentially with increasing vibrational excitation. This can be interpreted as the intermolecular interaction below E_T = 71,000 cm^-1. By contrast, the bond dissociation above E_T = 71,000 cm^-1 is due to the intramolecular energy flow between the excited C-H bonds. The probability of C-H_methyl dissociation is higher than that of C-H_ring dissociation.

• Asian-Australasian Journal of Animal Sciences
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• v.30 no.4
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• pp.554-561
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• 2017

Objective: This experiment was conducted as a $3{\times}2{\times}2$ factorial design to examine the effects of particle size (mean particle size of 331, 640, or $862{\mu}m$), evaluation method (direct vs indirect method) and adaptation duration (7 or 26 days) on the energy content and the apparent total tract digestibility (ATTD) of various chemical components in wheat when fed to finishing pigs. Methods: Forty-two barrows ($Duroc{\times}Landrace{\times}Yorkshire$) with an initial body weight of $63.0{\pm}0.8kg$ were individually placed in metabolic cages and randomly allotted to 1 of 7 diets with 6 pigs fed each diet. For the indirect method, the pigs were fed either a corn-soybean meal based basal diet or diets in which 38.94% of the basal diet was substituted by wheat of the different particle sizes. In the direct method, the diets contained 97.34% wheat with the different particle sizes. For both the direct and indirect methods, the pigs were adapted to their diets for either 7 or 26 days. Results: A reduction in particle size linearly increased the digestible energy (DE) and metabolizable energy (ME) contents as well as the ATTD of gross energy, crude protein, organic matter, ether extract (EE) and acid detergent fiber (ADF) (p<0.05), and had a trend to increase the ATTD of dry matter of wheat (p = 0.084). The DE, ME contents, and ATTD of gross energy, crude protein, dry matter and organic matter were higher (p<0.05) when determined by the direct method, but the ATTD of ADF, EE, and neutral detergent fiber were higher when determined by the indirect method (p<0.05). Prolongation of the adaption duration decreased the ATTD of neutral detergent fiber (p<0.05) and had a trend to increase the ATTD of EE (p = 0.061). There were no interactions between particle size and the duration of the adaptation duration. The ATTD of EE in wheat was influenced by a trend of interaction between method and adaptation duration (p = 0.074). The ATTD of ADF and EE in wheat was influenced by an interaction between evaluation method and wheat particle size such that there were linear equations (p<0.01) about ATTD of ADF and EE when determined by the direct method but quadratic equations (p = 0.073 and p = 0.088, respectively) about ATTD of ADF and EE when determined by the indirect method. Conclusion: Decreasing particle size can improve the DE and ME contents of wheat; both of the direct and indirect methods of evaluation are suitable for evaluating the DE and ME contents of wheat with different particle sizes; and an adaptation duration of 7 d is sufficient to evaluate DE and ME contents of wheat in finishing pigs.

• Journal of the Korean Magnetics Society
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• v.26 no.4
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• pp.119-123
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• 2016

We have studied electronic and magnetic structure of cubane-type Cu magnetic molecule using density functional method. The calculated density of states show that Cu has 3d $x^2-y^2$ hole orbital because of short distances between Cu atom and in-plane 4 ligand atoms. The calculated total energy with in-plane antiferromagnetic spin configuration is lower than those of ferromagnetic configurations. The calculated exchange interaction J between in-plane Cu atoms is much larger than those between out-plane Cu atoms, since the $x^2-y^2$ hole orbital ordering of Cu 3d orbitals induces strong super-exchange interaction between in-plane Cu atoms.

• Journal of the Korean Chemical Society
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• v.57 no.1
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• pp.104-108
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• 2013

The adsorption characteristics of Cd(II) and Pb(II) in aqueous solution using granular activated carbon (GAC), activated carbon fiber (ACF), modified ACF (NaACF), and a mixture of GAC and NaACF (GAC/NaACF) have been studied. The surface properties, such as morphology, surface functional groups, and composition of various adsorbents were determined using X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM) measurements. The specific surface area, total pore volume, and pore size distribution were investigated using nitrogen adsorption, Brunauer-Emmett-Teller (BET), and Barrett-Joyner-Halenda (BJH) methods. In this study, NaACF showed a high adsorption capacity and rate for heavy metal ions due to the improvement of its ion-exchange capabilities by additional oxygen functional groups. Moreover, the GAC and NaACF mixture was used as an adsorbent to determine the adsorbent-adsorbate interaction in the presence of two competitive adsorbents.

• The Bulletin of The Korean Astronomical Society
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• v.46 no.1
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• pp.28.1-28.1
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• 2021

We present a statistical analysis of dark matter halos with interacting neighbors using a set of cosmological simulations. We classify the neighbors into two groups based on the total energy (E₁₂) of the target-neighbor system; flybying neighbors (E₁₂ ≥ 0) and merging ones (E₁₂ < 0). First, we find a different trend between the flyby and merger fractions in terms of the halo mass and large-scale density. The flyby fraction highly depends on the halo mass and environment, while the merger fraction show little dependence. Second, we measure the spin-orbit alignment, which is the angular alignment between the spin of a target halo (${\vec{S}}$ ) and the orbital angular momentum of its neighbor (${\vec{L}}$). In the spin-orbit angle distribution, the flybying neighbors show a weaker prograde alignment with their target halos than the merging neighbors do. With respect to the nearest filament, the flybying neighbor has a behavior different from that of the merging neighbor. Finally, we discuss the physical origin of two interaction types.

• Journal of the Korea Concrete Institute
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• v.25 no.5
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• pp.547-554
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• 2013

This study was intended to estimate the bond strength of steel fiber in UHPFRC through pullout test. The pullout test was carried out with the double-sided pullout specimens with multiple fibers. First, the effect of fiber density on the bond strength was investigated, and the experimental result presented that the density range considered in this study was proved not to produce fiber-to-fiber interaction. The bond strength was estimated from several methods, which are based on the pullout load or energy at peak load, and the total energy absorbed until fibers are pulled out completely. the estimated bond strength obtained from the total energy was shown to be under the influence of the embedded length of fiber. the bond strengths obtained from peak load condition was 6.64 MPa in average, which had little difference compared to 6.46 MPa calculated by peak load only. Considering simplicity of test and analysis, it may be no matter to estimate the bond strength from peak load in pullout test.

• Korean Chemical Engineering Research
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• v.46 no.5
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• pp.903-914
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• 2008

This study was undertaken for the production capacity expansion and energy saving through entire process simulation and optimization for the commercial process of manufacturing monoethylene glycol as a staple from ethylene oxide. Aspen $Plus^{TM}$(ver. 2006) was employed in the simulation and optimization work. The multicomponent vapor-liquid equilibria involved in the process were calculated using the NRTL-RK equation. As for the binary interaction parameters required for a total of 91 binary systems, those for 8 systems were self-supplied by the simulator, those for 28 systems were estimated through regression of the VLE data in the literature, and the remainder were estimated with the estimation system built in the simulator. Subsequent to ascertaining the accuracy of the generated parameters through comparison between actual and simulated process data, sensitive variables highly affecting the process were searched and selected using sensitivity analysis tool in the simulator. The optimum operating conditions minimizing the total heat duty of the process were investigated using the optimization tool based on the successive quadratic programming in the simulator.

• Membrane Journal
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• v.6 no.1
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• pp.22-31
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• 1996

Pervaporation experiments of isopropanol-water mixtures through a polydimethytsiloxane(PDMS) membrane were carried out at 35$^{\circ}$C and the effect of isopropanol concentration on the separation characteristics was investigated. The total permeation rate showed the largest deviation from the ideal permeation rate at the isoprpanol volume fraction from 0.5 to 0.7, which resulted from the interaction effect between permeants. The plasticizing effect of isopropanol enhanced the permeation of water, while the existance of water resulted in the depression of isopropanol permeation. Both the permeation rate and the selectivity were predicted using Flory-Huggins thermodynamics and modified Maxwell-Stefan equation. The concentration-dependent diffusion coefficients were expressed by Vignes equation. The Flory-Huggins interaction parameter between isopropanol and water was calculated using excess Gibbs energy correlation and the interaction parameters between liquid and polymer membrane were determined by equilibrium swelling experiments. The predicted permeation rates were in accord with the experimental ones within maximum error range of 35 %. The predicted permeation selectivities were in good agreement with the experimental values.

• Asian-Australasian Journal of Animal Sciences
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• v.20 no.12
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• pp.1865-1873
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• 2007

An experiment was performed to evaluate the effects of dietary metabolizable energy (ME) and lysine on carcass characteristics and meat quality in Arbor Acres (AA) broilers from 1 to 56 days of age. A total of 2,970 1-d-old male broiler chicks were randomly allocated to nine dietary treatments (three ME levels in combination with three lysine levels), and dietary ME and lysine concentrations were formulated by varying corn, soybean meal, tallow, and L-lysine sulfate concentrations. Live body weight (BW), carcass weight (CW), dressing percent, breast muscle weight (BMW), yield of breast muscle, muscle color (CIE L*, a*, and b*), pH values 45 min and 24 h postmortem ($pH_{45}$, and $pH_{24}$), meat shear force value (SFV), and water loss rate (WLR) were evaluated. Results showed that live body weight and dressing percent increased (p<0.05) as dietary energy increased. Higher dietary lysine content improved breast muscle weight. Neither carcass weight nor yield of breast muscle was affected by dietary energy or lysine content. Higher ME increased the b* value (p = 0.067) and $pH_{24}$ value (p<0.05), whereas it decreased SFV (p<0.05) and WLR (p = 0.06). Only water loss rate was influenced (p<0.01) by dietary lysine, which was higher in broilers from the high lysine diet as compared to those from medium or low lysine diets. The $pH_{45}$ value and L* value of breast muscle were not affected by ME or lysine. Significant interaction of dietary ME and lysine was found on a* value of breast muscle. These results indicated that dietary ME and lysine had important effects on breast muscle growth and meat quality, however their effects were different. Different concentrations of dietary ME and lysine might be considered to improve meat quality.

• Korean Journal of Materials Research
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• v.26 no.11
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• pp.611-622
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• 2016

Particle morphology change and different experimental condition analysis during composite fabrication process by traditional ball milling with discrete element method (DEM) simulation were investigated. A simulation of the three dimensional motion of balls in a traditional ball mill for research on the grinding mechanism was carried out by DEM simulation. We studied the motion of the balls, the ball behavior energy and velocity; the forces acting on the balls were calculated using traditional ball milling as simulated by DEM. The effect of the operational variables such as the rotational speed, ball material and size on the flow velocity, collision force and total impact energy were analyzed. The results showed that increased rotation speed with interaction impact energy between balls and balls, balls and pots and walls and balls. The rotation speed increases with an increase of the impact energy. Experiments were conducted to quantify the grinding performance under the same conditions. Furthermore, the results showed that ball motion affects the particle morphology, which changed from irregular type to plate type with increasing rotation speed. The evolution was also found to depend on the impact energy increase of the grinding media. These findings are useful to understand and optimize the particle motion and grinding behavior of traditional ball mills.