• Korean Chemical Engineering Research
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• 제50권3호
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• pp.505-510
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• 2012

기포탑 반응기에서의 기체 체류량은 기포의 크기 분포 및 상승 속도와 밀접한 연관성을 갖는다. 따라서 많은 연구자들에 의하여 기포탑 반응기 내에 기포의 크기를 제어하기 위한 연구들이 진행되어 왔다. 본 연구에서는 스파져 이외의 영역에서도 기포의 거동을 제어하고 기체 체류량을 증진시키기 위하여 다단형 기포탑 반응기를 사용하였다. 특히, 3 종류의 서로 다른 크기의 반응기를 사용하여 다단 다공판이 기포의 유동 특성에 미치는 효과를 확인하였다. 나아가 개별 기포가 다공판을 통과하였을 때의 쪼개짐 빈도수 및 크기 분포 변화에 대하여 관찰함으로써 다공판의 영향에 대한 이해를 넓혔다. 또한 다양한 다공판 배치 형태에 따른 유동 특성을 관찰함으로써 다단형 기포탑 반응기에서의 다공판 설치에 대한 기준을 제시할 수 있었으며, 이를 바탕으로 높이 22 m, 직경 0.36 m의 벤치 스케일 다단형 기포탑 반응기를 제작하여 그 성능을 확인하였다.

• Bulletin of the Korean Chemical Society
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• 제33권2호
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• pp.613-619
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• 2012

We applied several machine learning methods for developing QSAR models for prediction of acute toxicity to fathead minnow. The multiple linear regression (MLR) and artificial neural network (ANN) method were applied to predict 96 h $LC_{50}$ (median lethal concentration) of 555 chemical compounds. Molecular descriptors based on 2D chemical structure were calculated by PreADMET program. The recursive partitioning (RP) model was used for grouping of mode of actions as reactive or narcosis, followed by MLR method of chemicals within the same mode of action. The MLR, ANN, and two RP-MLR models possessed correlation coefficients ($R^2$) as 0.553, 0.618, 0.632, and 0.605 on test set, respectively. The consensus model of ANN and two RP-MLR models was used as the best model on training set and showed good predictivity ($R^2$=0.663) on the test set.

• Membrane and Water Treatment
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• 제12권2호
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• pp.59-64
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• 2021

The rejection of sodium chloride (NaCl) and calcium chloride (CaCl2) single salt solutions were carried out for commercial nanofiltration NFDK membrane. Results showed that the NFDK membrane had a negative surface charge and had a higher observed rejection of 93.65% for calcium (Ca2+) ion and 78.27% for sodium (Na+) ions. Prediction of rejection for aqueous solutions of both salts was made using Donnan Steric Pore Model based on Extended Nernst-Planck Equation in addition to concentration polarization film theory. A MATLAB program was developed to execute the model calculations. Absolute Average Relative Error (% AARE) was found below 5% for real rejection of the NFDK membrane. This research could be used successfully to assess the membrane characterization parameter using a proposed procedure which can reduce the number of experiments.

• Bulletin of the Korean Chemical Society
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• 제32권2호
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• pp.510-514
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• 2011

Photodissociation dynamics of allyl alcohol ($H_2C$=CH-$CH_2OH$) has been investigated at 205 - 213 nm along the UV absorption band by measuring rotationally-resolved laser-induced fluorescence spectra of OH radicals. Observed energy partitioning of the available energy among products at all photon energies investigated was similar and the barrier energy for OH production is about 574.7 kJ/mol from the OH yield measurements. The potential energy surfaces for the $S_0$, $T_1$, and $S_1$ excited states along the dissociation coordinate were obtained by ab initio quantum chemical calculations. The observed energy partitioning was successfully modeled by the "barrier-impulsive model" with the reverse barrier and the geometry obtained by the calculated potential energy surfaces. The dissociation takes place on the $T_1$ excited state potential energy surface with an energy barrier in the exit channel and a large portion of the photon energy is distributed in the internal degrees of freedom of the polyatomic products.

• 한국작물학회지
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• 제40권1호
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• pp.26-32
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• 1995

White clover는 많은 장점에도 불구하고 계속방목에 대한 적응력이 낮아 존속연한이 짧은 것이 결점이다. 따라서 본 시험은 white clover 혼파초지관이에 필요한 정보를 제공하기 위하여 예취주기의 장단(7일, 14일, 28일)이 28일의 재생기간 동안 잎의 크기가 다른 white clover 품종(Osceola, Huia, S184)의 질소고정, 각부위(잎과 엽병, 포복경 및 뿌리)별 total nonstructural carbohyd-rate(TNC) 및 질소의 분배에 미치는 영향을 조사하기 위하여 온실에서 pot 시험으로 실시한 바 그 결과를 요약하면 다음과 같다. 1. TNC 함량은 포복경과 뿌리에서 예취주기를 7일에서 28일로 늘임으로써 증가하였고 대엽종인 Osceola에서 가장 높은 함량을 보인 반면, 중엽종인 Huia와 소엽종인 5184은 각부위간분배가 다른 것으로 나타났다. 2. 질소함양은 전부위에서 이상의 포복경과 뿌리의 TNC 함량과 유사한 반응을 보였다. 3. TNC 함량은 뿌리보다는 잎과 엽병 또는 포복경에서 많은 반면, 질소함량은 엽병, 뿌리, 포복경의 순으로 감소하였다. 4. 예취로 인하여 전부위의 TNC 및 질소 함량은 감소하였으나, 재생기간이 길어짐으로써 증가하는 경향이었다. 또한 예취주기에 따라 재생기간 중 각부위간 TNC 및 질소 분배에는 차이가 있는 것으로 조사되었다. 5. 질소고정은 예취주기가 7일에서 28일로 증가함으로써 증가하고 대엽종일수록 큰 것으로 나타났으며, 예취 3일후까지는 감소하다가 그 이후에는 증가하였다.

• 대한화학회지
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• 제28권4호
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• pp.244-250
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• 1984

산${\cdot}$염기용매분배법과 규소산 칼럼 크로마토그라피법 및 용융 실리카모세관 칼럼크로마토그라피, 질량분석법을 사용하며 셀룰로오스와 리그닌의 열분해생성물중의 여러고리 방향족 화합물의 분리와 동정을 수행하였다. 16가지의 여러고리 방향족 화합물이 머무른 계수와 질량스펙트럼데이타에 의해서 확인되었다. 두가지 물질 모두에서 같은 종류의 여러고리 방향족 화합물이 생성되었으며, 그 함량에 있어서는 리그닌에서 훨씬 많은량이 생성되었다. 극히 발암성인 질소 및 유황을 함유하는 헤테로 고리 방향족 화합물은 거의 생성되지 않았다.

• Bulletin of the Korean Chemical Society
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• 제27권12호
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• pp.1997-2001
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• 2006

The photodissociation dynamics of formic acid (HCOOH) at 206 nm have been investigated from rotationally resolved laser induced fluorescence spectra of OH ($^2\Pi$) fragments produced exclusively in the ground state. From the spectra, the rotational energy of the fragments was measured to be $820\;{\pm}\;50\;cm^{-1}$. The translational energy released in the products, which is 87% of the total available energy of the system, was also measured from analyses of the Doppler profiles. Joining these data with quantum chemical molecular orbital calculations, we have concluded that the dissociation should take place along the S1 surface with an exit channel barrier and also that the energy partitioning is determined at the exit channel.

• Environmental Engineering Research
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• 제12권3호
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• pp.118-127
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• 2007

Between June and November 2002, the atmospheric concentrations and dry deposition fluxes of polycyclic aromatic hydrocarbons (PAHs) in Chonju were measured four times each over five days. The total concentration of PAHs in ambient air was $84\;ng/m^3$, with about 90% existing in the vapor phase. Plots of log ($K_p$) vs. log (${P_L}^0$) indicated that PAHs partitioning was not in equilibrium and the particulate characteristics did not change with seasonal variations. The PAHs fluxes to a water surface sampler (WSS) and a dry deposition plate (DDP) were about 14.15 and $1.92\;{\mu}g/m^2/d$, respectively. The flux of the gaseous phase, acquired by subtracting the DDP from the WSS results, was about $12.23\;{\mu}g/m^2/d$. A considerable correlation was shown between the atmospheric concentrations and deposition fluxes in the gaseous phase, but not in the particulate phase, as the fluxes of the particulate phase were dependent on the physical velocity differences of the particulates based on the particle diameter.

• Environmental Engineering Research
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• 제11권1호
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• pp.33-44
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• 2006

The objective of this study was to develop and assess a method for estimating the rain scavenging ratios (RSRs) of particle-bound PAHs and PCBs using measured scavenging ratio of particulate matters (PM) and routinely available data of physico-chemical properties of PM. Paired atmospheric and rainwater sampling was conducted for a total of 4 rain events. Assuming equilibrium partitioning in rainwater-gas-PM system, an equation was derived for estimating the RSR of particle-bound chemicals as a function of RSR of PM and three equilibrium partition constants (i.e. dimensionless Henry's law constant, gas-particle partition coefficient, and water-particle partition coefficient). For all PAHs, the model significantly under-predicted the RSR while the model prediction for PCBs agreed with observation mostly within a factor of 5. The RSR model for the chemicals is of limited use as its accuracy critically depends on how close the observed partitioning of the chemicals in the gas-PM-rainwater system is to that estimated under the equilibrium assumption.

• 한국지하수토양환경학회지:지하수토양환경
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• 제24권2호
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• pp.8-22
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• 2019

Among numerous chemicals used globally, the number of emerging contaminants is increasing. Numerical modeling for contaminant fate and transport in the subsurface is critical to evaluate environmental and health risk. In general, such models require physicochemical properties of contaminants as input values, which can be found in numerous chemical databases (DB). However, there exist lack of information specific to recently emerging contaminants, which requires estimation of physicochemical properties using regression programs. The purpose of the study is to introduce the workflow for identifying physicochemical properties of potential contaminants utilizing numerous chemical DBs, which frequently lists up potential contaminants for estimating chemical behavior. In this review paper, details of several chemical DBs such as KISChem, TOXNET, etc. and regression programs including EPI $Suite^{TM}$, ChemAxon, etc. were summarized and also benefit of using such DBs were explained. Finally, a few examples were introduced to estimate predominant phase, removal ratio, partitioning, and eco-toxicities by searching or regressing physicochemical properties.