• Bulletin of the Korean Chemical Society
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• v.35 no.7
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• pp.2213-2216
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• 2014

• Bulletin of the Korean Chemical Society
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• v.22 no.4
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• pp.413-416
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• 2001

• Bulletin of the Korean Chemical Society
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• v.20 no.9
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• pp.1093-1096
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• 1999

• Bulletin of the Korean Chemical Society
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• v.22 no.12
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• pp.1297-1298
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• 2001

• Bulletin of the Korean Chemical Society
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• v.14 no.5
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• pp.646-647
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• 1993

• Korean Chemical Engineering Research
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• v.55 no.5
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• pp.638-645
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• 2017

A model for predicting the transport velocity was proposed using the correlation of the particle entrainment rate in the gas fluidized bed. The emptying time method was simulated using correlations of Choi et al. and Li and Kato. In order to exclude the influence of the unit of the gas velocity, the dimensionless velocity obtained by dividing the gas velocity by the terminal velocity was used as the value of the x-axis. The inverse of the particle entrainment rate was used as the value of the y-axis. When increasing the gas velocity, the non-dimensional velocity, at which the decreasing slope of the y-value is 0.398 [$m^2s/kg$] in absolute value, was considered as the transport velocity. The transport velocity predicted by the model was in good agreement even at high temperature and high pressure.

• Bulletin of the Korean Chemical Society
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• v.30 no.1
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• pp.67-76
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• 2009

The development of a variety of methods like AM1, PM3, PM5 and DFT now allows the calculation of atomic and molecular properties with high precision as well as the treatment of large molecules with predictive power. In this paper, these methods have been used to calculate a number of quantum chemical descriptors (like Klopman atomic softness in terms of $E_n^{\ddag}\;and\;E_m^{\ddag}$, chemical hardness, global softness, electronegativity, chemical potential, electrophilicity index, heat of formation, total energy etc.) for 75 alkanes to predict their boiling point values. The 3D modeling, geometry optimization and semiempirical & DFT calculations of all the alkanes have been made with the help of CAChe software. The calculated quantum chemical descriptors have been correlated with observed boiling point by using multiple linear regression (MLR) analysis. The predicted values of boiling point are very close to the observed values. The values of correlation coefficient ($r^2$) and cross validation coefficient ($r_{cv}^2$) also indicates the generated QSPR models are valuable and the comparison of all the methods indicate that the DFT method is most reliable while the addition of Klopman atomic softness $E_n^{\ddag}$ in DFT method improves the result and provides best correlation.

• Journal of Korean Society of Environmental Engineers
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• v.27 no.6
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• pp.620-625
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• 2005

This study is to investigate the correlation between pore structures of activated carbons and adsorption characteristics of acetone vapor using the dynamic adsorption method. The experimental results showed that the breakthrough time of ACT activated carbon made by Takeda was the longest, because ACT has more micropores below pore diametr $10{\AA}$ than the compared activated carbons. The equilibrium adsorption capacity had direct correlation to the breakthrough time. The relation between BET specific surface area and the equilibrium adsorption capacity was hard to say linear. Therefore, it was difficult to estimate the adsorption ability of activated carbons only by BET specific surface area. The correlation factor between the cumulative surface area and the equilibrium adsorption capacity decreased with enlarging the range of pore size, and there was the highest correlation factor in the range of below $10{\AA}$.

• Korean Journal of Environmental Agriculture
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• v.36 no.4
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• pp.293-298
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• 2017

BACKGROUND: Pyrethroids (PYRs) are a widely used insecticide in agriculture and household area. In mammals, PYRs such as deltamethrin is metabolized to 3-phenoxybenzoic acid (3-PBA) in liver that is mainly excreted in urine. This study is designed to single exposure of deltamethrin to rats in a dose-dependent manner and identify the correlation between deltamethrin exposure and its metabolite (3-PBA) in urine. METHODS AND RESULTS: Exposure levels of deltamethrin were control (0 mg/kg bw), low (0.0705 mg/kg bw), medium (0.705 mg/kg bw) and high (7.05 mg/kg bw) dose. Low concentration was derived by ussing Korea predictive operator exposure model (KoPOEM). Dermal exposure persisted for 6 h, and urine specimens were collected for 24 h. The urine matrix was removed after a series of procedures and 3-PBA was analyzed by gas chromatography/mass spectrometry. CONCLUSION: There was a strong correlation ($R^2=0.83$) between the amount of oral exposure to delta me thrin and urinary levelof3-PBAexcreted. In dermal exposure groups of deltamethrin except high-dose, also there was a good correlation between urinary 3-PBA and deltamethrin exposure, but not stronger than in oral deltamethrin exposure groups. Based on these results, therefore, the amount of 3-PBA in urine can be used as a good monitoring indicator that reflexing the exposure level of deltamethrin to human body.

• Journal of the Korean Chemical Society
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• v.17 no.3
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• pp.193-197
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• 1973

The correlation of the infrared carbonyl stretching frequency with substituents in benzanilides has been studied. The Hammett-type equation(1) was adopted for this correlation. Substituents in a C-phenyl-ring gave a better correlation with ${\sigma}^{+}$rather than ${\sigma}$, meanwhile, substituents in a N-phenyl-ring gave a better correlation with ${\sigma}$. When substituents are placed on both C-phenyl and N-phenyl ring, they influenced the carbonyl stretching frequency reasonably independently of each other. A conformation of benzanilide which accounts for the above observation has also been discussed.