• Bulletin of the Korean Chemical Society
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• v.26 no.1
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• pp.139-145
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• 2005

Artificial neural networks (ANNs), for a first time, were successfully developed for the modeling and prediction of solvent effects on rate constant of [2+2] cycloaddition reaction of diethyl azodicarboxylate with ethyl vinyl ether in various solvents with diverse chemical structures using quantitative structure-activity relationship. The most positive charge of hydrogen atom (q$^+$), dipole moment ($\mu$), the Hildebrand solubility parameter (${\delta}_H^2$) and total charges in molecule (q$_t$) are inputs and output of ANN is log k$_2$ . For evaluation of the predictive power of the generated ANN, the optimized network with 68 various solvents as training set was used to predict log k$_2$ of the reaction in 16 solvents in the prediction set. The results obtained using ANN was compared with the experimental values as well as with those obtained using multi-parameter linear regression (MLR) model and showed superiority of the ANN model over the regression model. Mean square error (MSE) of 0.0806 for the prediction set by MLR model should be compared with the value of 0.0275 for ANN model. These improvements are due to the fact that the reaction rate constant shows non-linear correlations with the descriptors.

• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2473-2479
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• 2013

The kinetics of the radical-polar molecule reaction $CH_3+HBr{\rightarrow}CH_4+Br$ has been studied at temperatures between 150 and 1000 K using classical dynamics procedures. Potential energy surfaces constructed using analytical forms of inter- and intramolecular interaction energies show a shallow well and barrier in the entrance channel, which affect the collision dynamics at low temperatures. Different collision models are used to distinguish the reaction occurring at low- and high-temperature regions. The reaction proceeds rapidly via a complex-mode mechanism below room temperature showing strong negative temperature dependence, where the effects of molecular attraction, H-atom tunneling and recrossing of collision complexes are found to be important. The temperature dependence of the rate constant between 400 and 1000 K is positive, the values increasing in accordance with the increase of the mean speed of collision. The rate constant varies from $7.6{\times}10^{-12}$ at 150 K to $3.7{\times}10^{-12}$ at 1000 K via a minimum value of $2.5{\times}10^{-12}\;cm^3\;molecule^{-1}\;s^{-1}$ at 400 K.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.6 no.3
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• pp.449-462
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• 1996

On the reaction crystallization of lanthanum oxalate effects of operation conditions of impeller speed, concentration and feed rate of reactant, and reaction temperature on the nucleation and growth of crystals were investigated experimentally. In general, at low supersation the analysis of crystallization processes is relatively clear. However, at high wupersaturation, which is usually applied in industrial crystallization, the processes are exhibited in much complication. In this study the lanthanum oxalate was crystallized by the reaction crystallization of high concentration of lanthanum chloride and oxalic acid in single-jet semi batch reactor. Agitation of solution and suspension in the reactor influenced to enhance the reaction process and crystal growth process which gave opposite effect on the crystallization of lanthanum oxalate. In our experiment since increase of impeller speed gave more influence on the reaction process rather than on the crystal growth process, the supersaturation concentration increased with increase of impeller speed, then resulted in decrease of mean crystal size. By the same effect of reactant concentration and feed rate, the decrease of mean crystall size of lanthanum oxalate was observed with increasing the reactant concentration and feed rate. In case of increasing reaction temperature, the mean crystal size increased. The morphology of lanthanum oxalate crystal was not changed within the variation ranges of the operation conditions which were applied in our experiment.

• Korean Journal of Applied Biomechanics
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• v.27 no.1
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• pp.1-7
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• 2017

Objective: The purpose of this study was to analyze the relationship between ground reaction force (GRF) and attack time according to the position of hand segments during counter attack in Kendo. Method: The participants consisted of 10 kendo athletes (mean age: $21.50{\pm}1.95yr$, mean height: $175.58{\pm}5.02cm$, mean body weight: $70.96{\pm}9.47kg$) who performed standard head strikes (A) and counter attack with a preferred hand position of +10 cm (B), 0 cm (C), and -10 cm (D). One force-plate (AMTI-OR-7., USA) was used to collect GRF data at a sample rate of 1,000 Hz. The variables analyzed were the attack time, medial-lateral GRF, anterior-posterior GRF (AP GRF), peak vertical force (PVF), and loading rate. Results: The total attack time was shorter in types A and C than in types C and D. The AP GRF, PVF, and loading rate had significantly higher forces in types C and D than in types A and C. The attack time (bilateral and unilateral leg support and total) was positively correlated with the GRF variables (vertical GRF and loading rate) during the counter attack in Kendo (r = 0.779 [$R^2=0.607$], p < 0.001). Conclusion: The positions of the hand segments can be changed by various conditions of the opponent in Kendo competitions; however, the position preferred by an individual can promote the successful ratio of the counter attack.

• Korean Chemical Engineering Research
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• v.47 no.6
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• pp.727-733
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• 2009

Effects of $Ca(OH)_2$ concentration(0.16~0.64 wt%), total volumetric flow rate(3~6 L/min) and $CO_2$ volume fraction(0.3~0.6) on morphology of the precipitated $CaCO_3$ and the mean particle size of the precipitated $CaCO_3$ were investigated in the slurry bubble column reactor. Experiments were carried out in acrylic reactor($0.11m-ID{\times}1.0m-high$) with a internal tube($0.04m-ID{\times}1.0m-high$). The calibration curve on the mass ratio of $CaCO_3$ to $Ca(OH)_2$ was obtained by FT-IR for the conversion of $Ca(OH)_2$ with the reaction time. The reaction rate of $Ca(OH)_2$ increased with increasing the volumetric flow rate of $CO_2$. From SEM images, the crystal size of $CaCO_3$ increased with increasing the reaction rate in the saturated concentration of $Ca(OH)_2$ (0.16 wt%). In addition, the crystal size of precipitated $CaCO_3$ decreased with increasing the concentration of $Ca(OH)_2$, but the mean particle size of precipitated $CaCO_3$ increased with increasing the concentration of $Ca(OH)_2$.

• Journal of Environmental Health Sciences
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• v.27 no.2
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• pp.145-152
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• 2001

The purpose of this study was to determine nitrogen dioxide(NO$_2$) decay rate by reaction between NO$_2$ and interior materials in Korean residence. The results of this research could be helpful to choose the interior construction materials and to study on reduction of indoor air pollutants. The results of this research are as follows; For 30 residences in Seoul and Incheon from October 2000 to march 2001, the mean of infiltration rate was 0.70$\pm$0.44 ACH, and single-detached houses (7 houses) and apartments (19 houses) were 0.97$\pm$0.55 ACH and 0.61$\pm$0.34 ACH, respectively. The $CO_2$ decay followed approximately first-order process ($R^2$=0.97$\pm$0.02). There existed a statistic significance in filtration rate between houses built in 1980’s and built in 1990’s by t-test (p<0.02). Mean of NO$_2$ decay rates in 26 residence3s except 4 residences was 0.94$\pm$0.49hr$^{-1}$ , and also 0.86$\pm$0.49hr$^{-1}$ , 0.97$\pm$0.50hr$^{-1}$ in single-detached houses and apartments, respectively. Mean NO$_2$ decay rates in houses built in 1980’s were 0.78$\pm$0.37hr$^{-1}$ , 1.33$\pm$1.03hr$^{-1}$ , respectively. Nothing were showed statistical significance among indoor temperature, indoor humidity, and NO$_2$ decay rate. However, NO$_2$ decay rates had a tendency to increase by increase of temperature and humidity. Average volume/surface of participated houses was 0.55$\pm$0.07m and mean NO$_2$ deposition velocity was calculated as 1.46$\pm$0.59msec$^{-1}$ .

• Korean Journal of Applied Biomechanics
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• v.13 no.2
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• pp.161-173
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• 2003

This study was performed to investigate the kinematic and kinetic differences between functional walking shoe(FWS) and general sports shoe(GSS). The subjects for this study were 4 male adults who had the walking pattern of rearfoot strike with normal feet. The movement of one lower leg was measured using force platform and 3 video cameras while the subjects walked at the velocity of 2/1.5 m/s. The findings of this study were as follows 1. The angle of lower leg-ground and angle of knee with FWS was greater than with GSS at the moment of strike the floor and the moment of second peak ground reaction force. The decreasing rate of angle of ankle was smaller in FWS from the strike phase to the second peak ground reaction force. These mean upright walking and round walking along the shoe surface. 2. The maximal Increased angle of Achilles tendon and the minimal decreased angle of rearfoot were smaller in FWS very significantly(p<0.001). Thus FWS prevent the excessive pronation of ankle and have good of rear-foot control. 3. The vortical ground reaction force and the rate of it to the BW were smaller in FWS statistically(p<0.001). The loading rate was smaller in FWS, too, and thess represent the reduction of load on ankle joint and prevention of injuries on it.

• Journal of Mechanical Science and Technology
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• v.18 no.8
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• pp.1479-1489
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• 2004

The effect of fluctuation of Equivalence Ratio (ER) in a turbulent reactive field has been studied in order to check the global combustion characteristics induced by the local fluctuation. When the flow is premixed on a large scale, closer examination on a small scale reveals that local fluctuations of ER exist in an imperfectly premixed mixture, and that these fluctuations must be considered to correctly estimate the mean reaction rate. The fluctuation effect is analyzed with DNS by considering the joint PDF of reactive scalar and ER, followed by modeling study where an extension of stochastic mixing models accounting for the ER fluctuation is reviewed and tested. It was found that models prediction capability as well as its potential is in favor to this case accounting the local ER fluctuation. However, the effect of local fluctuation did not show any notable changes on the mean global characteristics of combustion when statistical independence between the reactive scalar and ER field is imposed, though it greatly influenced the joint PDF distribution. The importance of taking into account the statistical dependency between ER and combustible at the initial phase is demonstrated by testing the modeled reaction rate.

• Journal of Mechanical Science and Technology
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• v.15 no.7
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• pp.906-920
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• 2001

This paper presents three-dimensional mean velocities, turbulent intensities and Reynolds shear stresses measured in the Y-Z plane of the gas swirl burner with a cone type baffle plate by using an X-type hot-wire probe. This experiments is carried out at the flow rate of 450ℓ/min which is equivalent to the combustion air flow rate necessary to heat release 15,000 kcal/hr in a gas furnace. Mean velocities and turbulent intensities etc. show that their maximum values exist around the narrow slits situated radially on the edge of and in front of a burner. According to downstream regions, they have a peculiar shape like a starfish because the flows going out of the narrow slits and the swirl vanes of an inclined baffle plate diffuse and develop into inward and outward of a burner. The rotational flow due to the inclined flow velocity going out of swirl vanes of a cone type baffle plate seems to decrease the magnitudes of mean velocities V and W respectively by about 30% smaller than those of mean velocity U. The turbulent intensities have large values of 50%∼210% within the range of 0.5

• Korean Journal of Applied Biomechanics
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• v.25 no.3
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• pp.241-248
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• 2015

Objective : The purpose of this study was to investigate the theta on the components of ground reaction force according to the ground conditions during gait. Method : Six healthy women(mean age: 22 yrs, mean height: $166.14{\pm}2.51cm$, mean body weights: $56.61{\pm}4.58kg$) participated in this study. The medial-lateral GRF(Fx 1), anterior-posterior GRF(Fy 1, Fy 2), vertical GRF(Fz 1, Fz 2, Fz 3), and impact loading rate were determined from time function and frequency domain. Also, GRF theta were time function and forces. Results : Fx 1, Fy 1 and Fy 2 of stair descending showed significant statistically higher forces than that of level walking, and ascending. Fz 1 of stairs descending showed significant statistically higher forces than that of level walking and stairs ascending(theta $88.62^{\circ}$). Also, Fz 2 of level walking showed significant statistically higher forces than that of stairs ascending and descending(theta $65.78^{\circ}$). Fz 3 of stairs ascending showed significant statistically higher forces than that of level walking and stairs descending($65.26^{\circ}$). Impact loading rate of stairs descending showed significant statistically higher forces than that of level and ascending walking. The GRF showed similar correlation with GRF theta(r=.603) according to the ground conditions during gait. Conclusion : These results suggest that the GRF theta can be used in conjunction with a gait characteristics, prediction of loading rate and dynamic stability.