• Title/Summary/Keyword: Toxic model

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QSPR analysis for predicting heat of sublimation of organic compounds (유기화합물의 승화열 예측을 위한 QSPR분석)

  • Park, Yu Sun;Lee, Jong Hyuk;Park, Han Woong;Lee, Sung Kwang
    • Analytical Science and Technology
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    • v.28 no.3
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    • pp.187-195
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    • 2015
  • The heat of sublimation (HOS) is an essential parameter used to resolve environmental problems in the transfer of organic contaminants to the atmosphere and to assess the risk of toxic chemicals. The experimental measurement of the heat of sublimation is time-consuming, expensive, and complicated. In this study, quantitative structural property relationships (QSPR) were used to develop a simple and predictive model for measuring the heat of sublimation of organic compounds. The population-based forward selection method was applied to select an informative subset of descriptors of learning algorithms, such as by using multiple linear regression (MLR) and the support vector machine (SVM) method. Each individual model and consensus model was evaluated by internal validation using the bootstrap method and y-randomization. The predictions of the performance of the external test set were improved by considering their applicability to the domain. Based on the results of the MLR model, we showed that the heat of sublimation was related to dispersion, H-bond, electrostatic forces, and the dipole-dipole interaction between inter-molecules.

3D Terrain Model Application for Explosion Assessment

  • Kim, Hyung-Seok;Chang, Eun-Mi;Kim, In-Won
    • 한국지역지리학회:학술대회
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    • 2009.08a
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    • pp.108-115
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    • 2009
  • An increase in oil and gas plants caused by development of process industry have brought into the increase in use of flammable and toxic materials in the complex process under high temperature and pressure. There is always possibility of fire and explosion of dangerous chemicals, which exist as raw materials, intermediates, and finished goods whether used or stored in the industrial plants. Since there is the need of efforts on disaster damage reduction or mitigation process, we have been conducting a research to relate explosion model on the background of real 3D terrain model. By predicting the extent of damage caused by recent disasters, we will be able to improve efficiency of recovery and, sure, to take preventive measure and emergency counterplan in response to unprepared disaster. For disaster damage prediction, it is general to conduct quantitative risk assessment, using engineering model for environmentaldescription of the target area. There are different engineering models, according to type of disaster, to be used for industry disaster such as UVCE (Unconfined Vapor Cloud Explosion), BLEVE (Boiling Liquid Evaporation Vapor Explosion), Fireball and so on, among them.we estimate explosion damage through UVCE model which is used in the event of explosion of high frequency and severe damage. When flammable gas in a tank is released to the air, firing it brings about explosion, then we can assess the effect of explosion. As 3D terrain information data is utilized to predict and estimate the extent of damage for each human and material. 3D terrain data with synthetic environment (SEDRIS) gives us more accurate damage prediction for industrial disaster and this research will show appropriate prediction results.

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APPLICATION OF 3D TERRAIN MODEL FOR INDUSTRY DISASTER ASSESSMENT

  • Kim, Hyung-Seok;Cho, Hyoung-Ki;Chang, Eun-Mi;Kim, In-Hyun;Kim, In-Won
    • Proceedings of the KSRS Conference
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    • 2008.10a
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    • pp.3-5
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    • 2008
  • An increase in oil and gas plants caused by development of process industry have brought into the increase in use of flammable and toxic materials in the complex process under high temperature and pressure. There is always possibility of fire and explosion of dangerous chemicals, which exist as raw materials, intermediates, and finished goods whether used or stored in the industrial plants. Since there is the need of efforts on disaster damage reduction or mitigation process, we have been conducting a research to relate explosion model on the background of real 3D terrain model. By predicting the extent of damage caused by recent disasters, we will be able to improve efficiency of recovery and, sure, to take preventive measure and emergency counterplan in response to unprepared disaster. For disaster damage prediction, it is general to conduct quantitative risk assessment, using engineering model for environmental description of the target area. There are different engineering models, according to type of disaster, to be used for industry disaster such as UVCE (Unconfined Vapour Cloud Explosion), BLEVE (Boiling Liquid Evaporation Vapour Explosion), Fireball and so on, among them, we estimate explosion damage through UVCE model which is used in the event of explosion of high frequency and severe damage. When flammable gas in a tank is released to the air, firing it brings about explosion, then we can assess the effect of explosion. As 3D terrain information data is utilized to predict and estimate the extent of damage for each human and material. 3D terrain data with synthetic environment (SEDRIS) gives us more accurate damage prediction for industrial disaster and this research will show appropriate prediction results.

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Cognition Enhancing Effect of Muskmelon (Cucumis melo) Extracts on Scopolamine-induced Memory Impairment in Mice (참외추출물이 스코폴라민 유도 기억상실 흰쥐의 인지능 회복에 미치는 효과)

  • Park, Sang-Shin;Park, Na-Omi;Kang, Ju-Uk;Shin, Suk-Chul;Lee, Dong-Ung
    • Journal of Life Science
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    • v.19 no.5
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    • pp.688-691
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    • 2009
  • The methanol extract of muskmelon (Cucumis melo) has been investigated for its cognition enhancing effects by evaluation of inhibitory activities on acetylcholinesterase, a degrading enzyme of acetylcholine, a brain neurotransmitter, and ${\beta}$- secretase, which forms the ${\beta}$-amyloid toxic protein from its precursor protein. A passive avoidance task, one of the animal model experiments for learning and memory, was also performed. As a result, the melon extract showed 15.8% and 35.3% inhibition on acetylcholinesterase and ${\beta}$-secretase, respectively, with a final concentration of 100 mg/ml. In the animal model test, melon extract significantly (p<0.05) lengthened the step-through latency time by 22.7% compared to the control group, suggesting that melon extract has, indeed, an effect on cognition enhancement.

Quantitative Analysis of Thermal Radiation in Flare Stack (플레어스택의 정량적인 복사열 분석)

  • Jung, Sang-Yong;Lee, Heon-Seok;Kim, Bum-Su;Yoo, Jin-Hwan;Park, Chul-Hwan;Ko, Jae-Wook
    • Journal of the Korean Institute of Gas
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    • v.14 no.1
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    • pp.37-41
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    • 2010
  • The most important element for improving the process safety that occurs from the flare system installed to convert into safe materials by burning the inflammable or toxic gases within the process and this is specified in the API 521 Code so that the radiation does not cause a risk factor. The flames that occur from the flare stack holds the shape of jet fire due to the pressure and flow velocity of discharge gas. This study has identified the shape of flames by using the Chamberlain Model rather than the API 521 Code method, analyzing the radiation due to this.

Ecological modeling for toxic substances - I . Numerical simulation of transport and fate of Nonylphenol in Tokyo Bay- (유해화학물질의 생태계 모델링 - I. 동경만 Nonylphenol의 환경동태 해석 -)

  • Kim Dong-Myung;Shiraishi Hiroaki
    • Journal of Environmental Science International
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    • v.14 no.9
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    • pp.827-835
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    • 2005
  • A three-dimensional ecological model (EMT -3D) was applied to Nonylphenol in Tokyo Bay. EMT -3D was calibrated with data obtained in the study area. The simulated results of dissolved Nonylphenol were in good agreement with the observed values, with a correlation coefficient(R) of 0.7707 and a coefficient of determination (R2) of 0.5940. The results of sensitivity analysis showed that biodegradation rate and bioconcentration factor are most important factors for dissolved Nonylphenol and Nonylphenol in phytoplankton, respectively. In the case of Nonylphenol in particulate organic carbon, biodegradation rate and partition coefficient were important factors. Therefore, the parameters must be carefully considered in the modeling. The mass balance results showed that standing stocks of Nonylphenol in water, in particulate organic carbon and in phytoplankton are $8.60\times 10^5\;g,\;2.19\times 10^2\;g\;and\;3.78\times 10^0\;g$ respectively. With respect to the flux of dissolved Nonylphenol, biodegradation in the water column, effluent to the open sea and partition to particulate organic carbon were $6.02\times10^3\;g/day,\;6.02\times10^2\;g/day\;and\;1.02\times10^1\;g/day$, respectively.

An Application of Toxicity Test to Water Management and Water Treatment (수질관리와 수처리에의 독성시험의 응용)

  • Kim, Berm-Soo
    • Journal of Korean Society of Water and Wastewater
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    • v.19 no.5
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    • pp.639-646
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    • 2005
  • In this research, we tried to develop the application method to water management and treatment using toxicity test method. When we measure the toxicity of environmental samples, we have to decide whether we take some countermeasures to reduce the toxicity or not. The first issue is how to set these action levels in each bioassays. A new idea was attempted to authorize indirect approach of each bioassays through the response characteristics against mixture of chemicals in water quality standard. The significant response in the cell-growth-inhibition bioassay was detected for standards-mixture(STDs). For acute toxicity assay, STDs-based implicit correlation between risks to humans and bioassay data showed a rational approach to set action levels in practical management. A simple model was proposed to describe and predict the changes in the total toxicity based on the concentrations of toxic-controlling chemicals during the ozonation of landfill leachates. On the basis of this simple model, toxicity reduction was predicted for pre-aggregation treatment before ozonation and ozone concentration during the ozonation. The method proposed in this study would be useful in optimizing water treatment processes and their running conditions in terms of the toxicity reduction efficacy.

Adsorption isotherm and kinetics analysis of hexavalent chromium and mercury on mustard oil cake

  • Reddy, T. Vishnuvardhan;Chauhan, Sachin;Chakraborty, Saswati
    • Environmental Engineering Research
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    • v.22 no.1
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    • pp.95-107
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    • 2017
  • Adsorption equilibrium and kinetic behavior of two toxic heavy metals hexavalent chromium [Cr(VI)] and mercury [Hg(II)] on mustard oil cake (MOC) was studied. Isotherm of total chromium was of concave type (S1 type) suggesting cooperative adsorption. Total chromium adsorption followed BET isotherm model. Isotherm of Hg(II) was of L3 type with monolayer followed by multilayer formation due to blockage of pores of MOC at lower concentration of Hg(II). Combined BET-Langmuir and BET-Freundlich models were appropriate to predict Hg(II) adsorption data on MOC. Boyd's model confirmed that external mass transfer was rate limiting step for both total chromium and Hg(II) adsorptions with average diffusivity of $1.09{\times}10^{-16}$ and $0.97m^2/sec$, respectively. Desorption was more than 60% with Hg(II), but poor with chromium. The optimum pH for adsorptions of total chromium and Hg(II) were 2-3 and 5, respectively. At strong acidic pH, Cr(VI) was adsorbed by ion exchange mechanism and after adsorption reduced to Cr(III) and remained on MOC surface. Hg(II) removal was achieved by complexation of $HgCl_2$ with deprotonated amine ($-NH_2$) and carboxyl (COO-) groups of MOC.

The evaluation of BASINS/HSPF and WASP5 model in Hwaong watershed and reservoir (BASINS/HSPF 및 WASP5를 이용한 화옹유역과 담수호의 적용성 검토)

  • Jung, Kwang-Wook;Yoon, Chun-Gyeong;Jang, Jae-Ho;Han, Jung-Yoon
    • Proceedings of the Korean Society of Agricultural Engineers Conference
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    • 2005.10a
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    • pp.540-545
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    • 2005
  • Large scale projects of sea-land reclamation have been practiced mainly to enlarge farmland in Korea. Most projects produced estuarine reservoir with dike construction, which might result in water quality problems due to block of natural flowing of stream water to the sea. Applicability of a widely accepted watershed-based water quality assessment tool (BASINS) and its associated watershed model was evaluated on the Hwaong watershed in Korea. BASINS was found to be a convenient and powerful tool for assessment of watershed characteristics, and provided various tools to delineate the watershed into land segments and river reaches, reclassify land use, and parameterize for HSPF simulation. WASP5 is a general purpose modeling system for assessing the fate and transport of conventional and toxic pollutants in surface water bodies. This study involved selection and linkage of available models to be used as a tool in evaluating the effects of BMPs for control on reservoir water quality. Overall,.Linkage of BASINS/HSPF and WASP5 was applicable and found to be a powerful tool in pollutant loading estimation from the watershed and reservoir, and its use is recommended.

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Fundamental Kinetics of Cephradine Oxidation in Supercritical Water (초임계수에서 Cephradine 산화반응속도)

  • 김영권;김인배
    • Journal of Environmental Health Sciences
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    • v.30 no.2
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    • pp.133-139
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    • 2004
  • The objective of this study was to investigate the destruction efficiency and to determine the fundamental parameters of oxidation kinetics under the supercritical water(SCW) condition. Target material was cephradine, toxic and antibiotic material, in the pharmaceutical wastewater. For this purpose, the effect of reaction temperature and oxidant were investigated on the destruction efficiency of cephradine. And the oxidation kinetics of cephradine was derived by using a empirical power-law model. The experiment was carried out in a cylindrical batch reactor made of Hastelloy C-276 which was endurable high temperature and pressure. The destruction efficiency of cephradine increased with increment of the temperature and reaction time. Also the type of oxidants was effected and oxidants(Air and $H_2O$$_2$) were enhanced the destruction efficiency. The global oxidation kinetics for cephradine has led to two rate expressions according to type of oxidant. - In the presence of air oxidant: Rate=k. $e^{-Ea}$RT/(Ceph.)$^{1.0}$ ( $O_2$)$^{0.51}$$\pm$0.05(k=3.27${\times}$$10^{5}$ sec. Ea=63.25 kJ/mole) - In the presence of $H_2O$$_2$ oxidant : Rate=kㆍ $e^{-Ea}$RT/(Ceph.)$^{1.0}$ ($H_2O$$_2$)$^{0.62}$$\pm$0.02(k=2.76${\times}$$10^4$/sec. Ea=47.65 kJ/mole)ole))