• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Estimations and Measurements of Physicochemical Properties of Brominated Organic Pollutants for their Behavior Prediction.

Research Project

Project/Area Number 15206099
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Recycling engineering
Research InstitutionTohoku University

Principal Investigator

NAKAMURA Takashi  Tohoku University, Institute of Multidisciplinary Research for Advanced Materials, Professor, 多元物質科学研究所, 教授 (20112360)

Co-Investigator(Kenkyū-buntansha) KASAI Eiki  Tohoku University, Institute of Multidisciplinary Research for Advanced Materials, Professor, 多元物質科学研究所, 教授 (50134044)
SHIBATA Etsuro  Tohoku University, Institute of Multidisciplinary Research for Advanced Materials, Research Associate, 多元物質科学研究所, 助手 (70312650)
KAWAMOTO Katsuya  Research Center for Material Cycles and Waste Management, National Institute for Environmental Studies, Head of Laboratory, 循環型社会形成推進, 廃棄物研究センター・室長 (50257325)
KURAMOCHI Hidetoshi  Research Center for Material Cycles and Waste Management, National Institute for Environmental Studies, Senior Researcher, 循環型社会形成推進, 廃棄物研究センター・研究員 (50353537)
Project Period (FY) 2003 – 2005
Project Status Completed (Fiscal Year 2005)
Budget Amount *help
¥49,530,000 (Direct Cost: ¥38,100,000、Indirect Cost: ¥11,430,000)
Fiscal Year 2005: ¥9,750,000 (Direct Cost: ¥7,500,000、Indirect Cost: ¥2,250,000)
Fiscal Year 2004: ¥17,680,000 (Direct Cost: ¥13,600,000、Indirect Cost: ¥4,080,000)
Fiscal Year 2003: ¥22,100,000 (Direct Cost: ¥17,000,000、Indirect Cost: ¥5,100,000)
KeywordsPolybrominated dioxins / Brominated flame retardant / Vapor pressure / Thermodynamic data / Water-solubility / 1-Octanol / water partition coefficient / Knudsen cell / Generator column
Research Abstract

In this study, the physico-chemical properties of polybrominated dibenzo-p-dioxins and furans (PBDD/Fs), polybrominated/chlorinated dibenzo-p-dioxins and furans (PBCDD/Fs) and other brominated aromatic compounds were measured and also theoretically calculated in order to obtain the basic knowledge for the achievement of their reduction and the prevention of their discharge from waste treatments. The vapor pressures of polybrominated diphenyl ethers (4-MoBDE, 4,4'-DiBDE, DecaBDE), polybrominated phenols (2,4-DiBPh, 2,4,6-TrBPh, PeBPh), polybrominated benzenes (1,2,4-TrBBz, 1,2,4,5-TeBBz, HxBBz), tetrabromobisphenol A (TBBPA) and OBDD were measured by the Knudsen effusion method using a vacuum-microbalance. The enthalpies of fusion and melting points for 4,4'-DiBDE, DeBDE, 2,4-DBPh, 2,4,6-TBPh, PeBPh, 1,2,4-TBBz, 1,2,4,5-TBBz, HxBBz and TBBPA were also measured using DSC. The thermodynamic data such as standard enthalpies of formation, entropies and heat capacities were calculated for all PBDD/F isomers, 339 PBCDD/F isomers and 242 brominated flame retardant isomers using Density Functional Theory. Using these thermodynamic data, the behaviors of PBDD/Fs and PBCDD/Fs in waste incinerator flue gases were thermodynamically estimated in the various temperatures and atmosphere conditions. For these brominated frame retardants, the water-solubilities and 1-octanol/water partition coefficients were measured by the generator column method. From these water-solubilities and the above thermodynamic data, their activity coefficients and Henry's constants were derived. The UNIFAC parameters were extended in order to apply the UNIFAC model for brominated aromatic compounds including PBDD/Fs. Their environmental partitioning behaviors are totally estimated using the conventional fate analysis model.

Report

(4 results)
  • 2005 Annual Research Report   Final Research Report Summary
  • 2004 Annual Research Report
  • 2003 Annual Research Report
  • Research Products

    (15 results)

All 2005 2004 Other

All Journal Article (10 results) Publications (5 results)

  • [Journal Article] Thermodynamic Prediction of Vapor Pressures for Polychlorinated Dibenzo-p-dioxins, Polychlorinated Dibenzofurans and Polybrominated Dibenzo-p-dioxins2005

    • Author(s)
      Xian-Wei Li
    • Journal Title

      Environmental Toxicology and Chemistry 24

      Pages: 2167-2177

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Annual Research Report 2005 Final Research Report Summary
  • [Journal Article] Thermodynamic Prediction of Vapor Pressures for Polychlorinated Dibenzo-p-dioxins, Polychlorinated Dibenzofurans and Polybrominated Dibenzo-p-dioxins2005

    • Author(s)
      Xian-Wei Li
    • Journal Title

      Environmental Toxicology and Chemistry Vol.24

      Pages: 2167-2177

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Measurements of Water Solubilities and 1-Octanol/Water Partition Coefficients, and Estimations of Henry's Law Constants for Brominated Benzenes2004

    • Author(s)
      Hidetoshi Kuramochi
    • Journal Title

      J. Chem. Eng. Data 49

      Pages: 720-724

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Water Solubility and Partitioning Behavior of Brominated Phenols2004

    • Author(s)
      Hidetoshi Kuramochi
    • Journal Title

      Environmental Toxicology and Chemistry 23

      Pages: 1386-1393

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Measurements of Water Solubilities and 1-Octanol/Water Partition Coefficients, and Estimations of Henry's Law Constants for Brominated Benzenes2004

    • Author(s)
      Hidetoshi Kuramochi
    • Journal Title

      J.Chem.Eng.Data Vol.49

      Pages: 720-724

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Water Solubility and Partitioning Behavior of Brominated Phenols2004

    • Author(s)
      Hidetoshi Kuramochi
    • Journal Title

      Environmental Toxicology and Chemistry Vol.23

      Pages: 1386-1393

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Water Solubility and Partitioning Behavior of Brominated Phenols2004

    • Author(s)
      H.Kuramochi
    • Journal Title

      Environ.Toxicol.Chem. 23・6

      Pages: 1386-1396

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Measurements of Water Solubilities and 1-Octanoll/Water Partition Coefficients, and Estimations of Henry's Law Constants for Brominated Benzenes2004

    • Author(s)
      H.Kuramochi
    • Journal Title

      J.Chem.Eng.Data 49

      Pages: 720-724

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Physicochemical properties for PBDEs and extension of the UNIFAC model to brominated aromatic compounds

    • Author(s)
      Hidetoshi Kuramochi
    • Journal Title

      Chemosphere 印刷中

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Physicochemical properties for PBDEs and extension of the UNIFAC model to brominated aromatic compounds

    • Author(s)
      Hidetoshi Kuramochi
    • Journal Title

      Chemosphere (in print)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Publications] Xian-Wei Li, Etsuro Shibata, Takashi Nakamura: "Theoretical Calculation of Thermodynamic Properties of Polybrominated Dibenzo-p-dioxins"Chemical Engineering Data. 48・3. 727-735 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Xian-Wei Li, Etsuro Shibata, Takashi Nakamura: "Thermodynamic Properties of Polybrominated Dibenzo-p-dioxins and Dibenzofurans Calculated by Density Functional Theory"Materials Transactions. 44・5. 1004-1013 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Xian-Wei Li, Etsuro Shibata, Takashi Nakamura: "Thermodynamic Properties of Polybrominated/Chlorinated Dibenzo-p-Dioxins Calculated by Density Functional Theory"Materials Transactions. 44・12. 2441-2445 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] H.Kuramochi, K.Maeda, K.Kawamoto: "Water Solubility and Partitioning Behavior of Brominated Phenols"Environ.Toxicol.Chem.. 23・6(印刷中). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] H.Kuramochi, K.Maeda, K.Kawamoto: "Measurements of Water Solubilities and 1-Octanol/Water Partition Coefficients, and Estimations of Henry's Law Constants for Brominated Benzenes"J.Chem.Eng.Data. (印刷中). (2004)

    • Related Report
      2003 Annual Research Report

URL: 

Published: 2003-04-01   Modified: 2016-04-21  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi