• Title/Summary/Keyword: $PM_{2.5}$ modeling

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A Comparative QSPR Study of Alkanes with the Help of Computational Chemistry

  • Kumar, Srivastava Hemant
    • 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.

Potentially Multidentate Tripodal Amine Catechol Ligands as Chelators for Ga(III) and In(III)

  • Sahoo, Suban K.;Baral, Minati;Bera, Rati Kanta;Kanungo, B. K.
    • Bulletin of the Korean Chemical Society
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    • v.30 no.9
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    • pp.1956-1962
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    • 2009
  • The binding abilities of two multidentate tripodal amine catechol ligands, cis,cis-1,3,5-tris[(2,3-dihydroxybenzylamino) aminomethyl]cyclohexane (TMACHCAT, $L^1)\;and\;N^1,N^3,N^5$-tris(2-(2,3-dihydroxybenzylamino) ethyl)cyclohexane-1,3,5-tricarboxamide (CYCOENCAT, $L^2$) with Ga(III) and In(III) have been investigated by potentiometric and spectrophotometric methods in an aqueous medium of 0.1 M KCl at 25 ${\pm}\;1\;{^{\circ}C}.$ The ligands $L^1\;and\;L^2$ formed various monomeric species $MLH_3,\;MLH_2$, MLH and ML (M = $Ga^{+3}\;and\;In^{+3}$) and showed potential to form strong encapsulated tris(catechol) type complexes. The coordination modes, binding ability and selectivity of the ligands towards Ga(III) and In(III) have been discussed with the help of experimental evidences, and supported with molecular modeling calculations.

A Study on the Outbreak and Transport Processes of the Severe Asian Dust Event Observed in March 2010 (2010년 3월 극심한 황사사례의 발생 및 수송과정에 관한 연구)

  • Kim, Sukwoo;Song, Sang-Keun;Han, Seung-Bum
    • Journal of Korean Society for Atmospheric Environment
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    • v.32 no.3
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    • pp.256-271
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    • 2016
  • The source and transport of the severe Asian dust event (ADE) recently observed in the Korean peninsula were analyzed based on observations (surface weather charts and satellite data) and modeling study (WRF-CMAQ modeling systems). The ADE occurred on 20-21 March 2010 in South Korea with very high $PM_{10}$ concentrations (up to approximately $3,000{\mu}g/m^3$ in Daegu and Jeju). The dominant meteorological conditions affecting the dust outbreak and transport processes were found to be associated with the two synoptic features: (1) strong airflows (i.e., westerlies) induced by a strong pressure gradient resulting from a dense isobar pattern (west-high and east-low) between Tuva Republic and Mongolia and (2) a rapid movement of the strong westerlies merged with airflows generated near Gobi Desert and Inner Mongolia. The merged strong westerlies with a low pressure played a pivotal role in the huge amount of AD and its transport height of 5-8 km. The time and location of dust emissions calculated in the source regions were similar to those observed in the weather charts and satellite image. The ADE simulation mostly showed agreement in the patterns and the concentration levels of modeled dust (including $PM_{10}$) with those of the observations.

A Method of Building an Process Model-based CASE Tool to Support Software Development and Management (소프트웨어 개발관리를 지원하기 위한 프로세스 모델 기반 CASE 도구 구축방법의 제시)

  • Jo, Byeong-Ho;Kim, Tae-Dal
    • The Transactions of the Korea Information Processing Society
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    • v.2 no.5
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    • pp.721-732
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    • 1995
  • The IPSE(Integrated Project Support Environment) tool can be seen as a result of an attempt to synthesize the key aspects of language-centered, specific methodology-based and toolkit oriented environments, which are current CASE tools into an organic whole. The IPSE approach based on a process model is regarded as an effective way to implement integrated CASE. The PM-CASE(Process Model based CASE) tool is currently a prototype which draw diagrams describing processes by using a new modeling technique. Attributes related with a task of withen the process model should be defined an saved the database. These attributed are used to retrieve the information of products, and to call the tool related which the task. In this paper, TSEE(Process centered Software Engineering Environment) tools are compared and analyzed. By describing the basic concept, architecture and design of PM-CASE tool, a method of building an process model-based CASE tool is proposed be support an effect software development and management.

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A Status of Atmospheric Environmental Impact Assessment and Future Prospects (대기환경영향평가 현황 및 향후 과제)

  • Koo, Youn-Seo;Choi, Dae-Ryun;Kim, Sung-Tae;Lee, Beom-Ku;Yu, Jung-Min;Lee, Seung-Hoon;Cheong, Chang-Yong;Lim, Jeong-Dae
    • Journal of Korean Society for Atmospheric Environment
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    • v.29 no.5
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    • pp.581-600
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    • 2013
  • The current status of atmospheric environmental impact assessment (EIA) has been summerized and future prospective for effective and accurate atmospheric EIA has been proposed by reviewing available papers and reports for the atmospheric EIA. The number of reports for the EIA in the EIA support system which is operated by the Korean Environmental Institute have been dramatically decreased from 282 reports in 2008 to 113 reports in 2012 during recent five years. This is partially due to simplification of the EIA procedure, the contraction of the public development and economic recession. We analyzed details of the EIA report to review how actual atmospheric EIA has preformed according to the EIA guidelines from the Korean Ministry of Environment. The 264 reports of EIA published in 2011 and 2012 had been reviewed especially focusing on the atmospheric evaluation items such as meteorology, air quality measurement and modeling, odor measurement and modeling, wind corridor in urban planning, and climate change. In overall sense, the atmospheric EIA has been performed quite well by abiding the guidelines except for local meteorological data measurement, permit standard for air quality and wind corridor. The new approaches to improve the procedure of atmospheric EIA and to reflect future of national air quality standard of $PM_{2.5}$ have been proposed. The guidelines on how to evaluate the wind corridor, to implement atmospheric EIA for $PM_{2.5}$ permit, and how to acquire local meteorological data by combining local measurement and model prediction are required for the effective and future oriented atmospheric EIA.

A Feasibility Study for Mapping Using The KOMPSAT-2 Stereo Imagery (아리랑위성 2호 입체영상을 이용한 지도제작 가능성 연구)

  • Lee, Kwang-Jae;Kim, Youn-Soo;Seo, Hyun-Duck
    • Journal of the Korean Association of Geographic Information Studies
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    • v.15 no.1
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    • pp.197-210
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    • 2012
  • The KOrea Multi-Purpose SATellite(KOMPSAT)-2 has a capability to provide a cross-track stereo imagery using two different orbits for generating various spatial information. However, in order to fully realize the potential of the KOMPSAT-2 stereo imagery in terms of mapping, various tests are necessary. The purpose of this study is to evaluate the possibility of mapping using the KOMPSAT-2 stereo imagery. For this, digital plotting was conducted based on the stereoscopic images. Also the Digital Elevation Model(DEM) and an ortho-image were generated using digital plotting results. An accuracy of digital plotting, DEM, and ortho-image were evaluated by comparing with the existing data. Consequently, we found that horizontal and vertical error of the modeling results based on the Rational Polynomial Coefficient(RPC) was less than 1.5 meters compared with the Global Positioning System(GPS) survey results. The maximum difference of vertical direction between the plotted results in this study and the existing digital map on the scale of 1/5,000 was more than 5 meters according as the topographical characteristics. Although there were some irregular parallax on the images, we realized that it was possible to interpret and plot at least seventy percent of the layer which was required the digital map on the scale of 1/5,000. Also an accuracy of DEM, which was generated based on the digital plotting, was compared with the existing LiDAR DEM. We found that the ortho-images, which were generated using the extracted DEM in this study, sufficiently satisfied with the requirement of the geometric accuracy for an ortho-image map on the scale of 1/5,000.

Korea Emissions Inventory Processing Using the US EPA's SMOKE System

  • Kim, Soon-Tae;Moon, Nan-Kyoung;Byun, Dae-Won W.
    • Asian Journal of Atmospheric Environment
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    • v.2 no.1
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    • pp.34-46
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    • 2008
  • Emissions inputs for use in air quality modeling of Korea were generated with the emissions inventory data from the National Institute of Environmental Research (NIER), maintained under the Clean Air Policy Support System (CAPSS) database. Source Classification Codes (SCC) in the Korea emissions inventory were adapted to use with the U.S. EPA's Sparse Matrix Operator Kernel Emissions (SMOKE) by finding the best-matching SMOKE default SCCs for the chemical speciation and temporal allocation. A set of 19 surrogate spatial allocation factors for South Korea were developed utilizing the Multi-scale Integrated Modeling System (MIMS) Spatial Allocator and Korean GIS databases. The mobile and area source emissions data, after temporal allocation, show typical sinusoidal diurnal variations with high peaks during daytime, while point source emissions show weak diurnal variations. The model-ready emissions are speciated for the carbon bond version 4 (CB-4) chemical mechanism. Volatile organic carbon (VOC) emissions from painting related industries in area source category significantly contribute to TOL (Toluene) and XYL (Xylene) emissions. ETH (Ethylene) emissions are largely contributed from point industrial incineration facilities and various mobile sources. On the other hand, a large portion of OLE (Olefin) emissions are speciated from mobile sources in addition to those contributed by the polypropylene industry in point source. It was found that FORM (Formaldehyde) is mostly emitted from petroleum industry and heavy duty diesel vehicles. Chemical speciation of PM2.5 emissions shows that PEC (primary fine elemental carbon) and POA (primary fine organic aerosol) are the most abundant species from diesel and gasoline vehicles. To reduce uncertainties in processing the Korea emission inventory due to the mapping of Korean SCCs to those of U.S., it would be practical to develop and use domestic source profiles for the top 10 SCCs for area and point sources and top 5 SCCs for on-road mobile sources when VOC emissions from the sources are more than 90% of the total.

A Study on Nonlinear Distortion Analysis of Power Amplifier using the OFDM for WLAN System (무선랜 시스템에서 OFDM 방식을 사용한 전력증폭기의 비선형 왜곡분석에 관한 연구)

  • Oh Chung-Gyun;Kim Dong-Ok
    • Journal of The Institute of Information and Telecommunication Facilities Engineering
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    • v.2 no.4
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    • pp.42-51
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    • 2003
  • In this paper, we are going to analyze on relation of an output spectrum along phase distortion of power amplifier in wireless LAN system, and then considered an ACPR characteristic of power amplifier and consideration of an OFDM method for this. Also, we did implementation for OFDM modulation and transmission section of an IEEE 802.11a standard to have transmission speed of the maximum 54Mbps in order to know an OFDM modulation method and relation of non-linear characteristic of power amplifier. The non-linear characteristic of power amplifier did modeling with AM-to-AM and AM-to-PM, and we analyzed an output spectrum characteristic along phase distortion composed input signal supply for power amplifier. When output spectrum analysis results phase distortion increased, and an AM-to-PM characteristic of power amplifier in 5 degrees, the output spectrum was satisfied with a demand spectrum in P1 dB, but 10-20 degrees were able to confirm what cannot be satisfied with a demand spectrum in phase distortion. Also, an output spectrum of power amplifier by frequency re-growth generated by a non-linear characteristic of power amplifier did not satisfied in P1dE. therefore, a back-off value was requested according to an AM-to-PM distortion degree, and smaller back-off value were able to know what demand became in case of modulation section that used OFDM.

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Methodology of Application to Air Quality Model to Evaluate the Results of the Enforcement Plan in Seoul Metropolitan Area (수도권 지역의 대기환경관리 시행계획 추진결과 평가를 위한 대기질 모델링 적용 방법)

  • Yoo, Chul;Lee, Dae-Gyun;Lee, Yong-Mi;Lee, Mi-Hyang;Hong, Ji-Hyung;Lee, Seok-Jo
    • Journal of Environmental Science International
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    • v.20 no.12
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    • pp.1647-1661
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    • 2011
  • The Government had devised legislation of Special Act and drew up guidelines for improving air quality in Seoul Metropolitan area. In 2007 local government of Seoul, Incheon and Gyeonggi conducted the results of application policy by reduced air pollutants emission for the first time. Although there was reduction of air pollutant emission in each local government, it was ineffective as expected using air pollution monitoring database. Therefore we worked out a way to prepare modeling input data using the results of enforcement plan. And we simulated surface $NO_2$ and PM10 before and after decrease in air pollutants emission and examine reduction effects of air pollution according to enforcement regulation except other influence, by using MM5-SMOKE-CMAQ system. Each local government calculated the amount of emission reduction under application policy, and we developed to prepare input data so as to apply to SMOKE system using emission reduction of enforcement plan. Distribution factor of emission reduction were classified into detailed source and fuel codes using code mapping method in order to allocate the decreased emission. The code mapping method also included a way to allocate spatial distribution by CAPSS distribution. According to predicted result using the reduction of NOx emission, $NO_2$ concentration was decreased from 19.1 ppb to 18.0 ppb in Seoul. In Gyeonggi and Incheon $NO^2$ concentrations were down to 0.65 ppb and 0.68 ppb after application of enforcement plan. PM10 concentration was reduced from 18.2 ${\mu}g/m^3$ to 17.5 ${\mu}g/m^3$ in Seoul. In Gyeonggi PM10 concentration was down to 0.51 ${\mu}g/m^3$ and in Incheon PM10 concentration was decreased about 0.47 ${\mu}g/m^3$ which was the lower concentration than any other cities.

Statistical methods of investigation on the compressive strength of high-performance steel fiber reinforced concrete

  • Ramadoss, P.;Nagamani, K.
    • Computers and Concrete
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    • v.9 no.2
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    • pp.153-169
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    • 2012
  • The contribution of steel fibers on the 28-day compressive strength of high-performance steel fiber reinforced concrete was investigated, is presented. An extensive experimentation was carried out over water-cementitious materials (w/cm) ratios ranging from 0.25 to 0.40, with silica fume-cementitious materials ratios from 0.05 to 0.15, and fiber volume fractions ($V_f$= 0.0, 0.5, 1.0 and 1.5%) with the aspect ratios of 80 and 53. Based on the test results of 44 concrete mixes, mathematical model was developed using statistical methods to quantify the effect of fiber content on compressive strength of HPSFRC in terms of fiber reinforcing index. The expression, being developed with strength ratios and not with absolute values of strengths, is independent of specimen parameters and is applicable to wide range of w/cm ratios, and used in the mix design of steel fiber reinforced concrete. The estimated strengths are within ${\pm}3.2%$ of the actual values. The model was tested for the strength results of 14 mixes having fiber aspect ratio of 53. On examining the validity of the proposed model, there exists a good correlation between the predicted values and the experimental values of different researchers. Equation is also proposed for the size effect of the concrete specimens.