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Gross-Link Structure and New Conversion Process of Coal

Research Project

Project/Area Number04044025
Research Category

Grant-in-Aid for international Scientific Research

Allocation TypeSingle-year Grants
SectionJoint Research
Research InstitutionTohoku University

Principal Investigator

IINO Masashi  Tohoku University, Institute for Chemical Reaction Science, Professor, 反応化学研究所, 教授 (10006306)

Co-Investigator(Kenkyū-buntansha) SUUBERG E.M.  Brown University, Division of Engineering, 工学科, 教授
LARSEN J.W.  Lehigh University, Department of Chemistry, 化学科, 教授
NAKAMURA Kazuo  Osaka Gas Co., Fundamental Research Laboratory, 基盤研究所, 課長
AIDA Tetsuo  Kinki University, Faculty of Engineering in Kyushu, 九州工学部, 教授 (50192836)
NOMURA Masakatsu  Osaka University, Faculty of Engineering, 工学部, 教授 (10029184)
SANADA Yuzo  Hokkaido University, Faculty of Engineering, 工学部, 教授 (50109485)
E M Suuberg  ブラウン大学, 工学科, 教授
J W Larsen  リハイ大学, 化学科, 教授
Project Period (FY) 1992 – 1993
Project Status Completed(Fiscal Year 1993)
Budget Amount *help
¥4,400,000 (Direct Cost : ¥4,400,000)
Fiscal Year 1993 : ¥1,900,000 (Direct Cost : ¥1,900,000)
Fiscal Year 1992 : ¥2,500,000 (Direct Cost : ¥2,500,000)
KeywordsCoal Cross-Link Structure / Non-Covalent Bond / Solvent Treatment / Heat Treatment / Solvent Swelling / Coal Structure Model
Research Abstract

The Japan-USA Joint Research on cross-link structures of coals and development of new coal conversion processes was carried out under the Grant-in-Aid by the Ministry of Education, Science and Culture for two years of fiscal 1992 and 1993, and the following results were obtained.
1. The cross-link structures of the extracts and residues, which were obtained from solvent extraction of coal, were studied by differential scanning calorimetry(DSC). The results show that the cross-link network density of the residues decreased with increasing extraction yields and non-covalent bonds such as hydrogen bonds play an important role to form cross-link networks.
2. The results of DSC measurement and computer simulation of the conformation of brown coal showed that the presence of water in brown coal has a strong effect on its three-dimensional structure.
3. The study on the effect of tetracyanoethylene(TCNE) on the extraction yield and the solubility of coal extracts showed that TCNE has a charge-transfer interaction with coal molecules, resulting in the increases of the extracta-bility and the solubility of coal molecules. The electric conductivity measurement of tetracyanoquodimethane(TCNQ)-coal system was unsuccessful.
4. The models for the chemical structure of bituminous coal and association structure of coal molecules were constructed by computer simulation(Computer-Aided Molecular Design, CAMD) using molecular dynamics and molecular mechanics. These models were found to be useful for the development of high efficient coal conversion processes.
Through these studies researches concerning coal structures are becoming very active in Japan, USA, and other countries and we strongly hope that we can start again international joint researches in this area.

Report

(2results)
  • 1993 Final Research Report Summary
  • 1992 Annual Research Report

Research Products

(18results)

All Other

All Publications

  • [Publications] K.Nakamura: "CAMD Study of Coal Model Molecules.1.Estimation of Physical Density of Coal Model Molecules" Energy Fuels. 7. 347-350 (1993)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] E.M.Suuberg: "Role of Moisture in Coal Structure and the Effects of Drying Upon the Accessibility of Coal Structure" Energy Fuels. 7. 384-392 (1993)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] K.Nakamura: "CAMD Study of Coal Model Molecules.2.Density Simulation for Four Japanese Coals" Energy Fuels. 7. 469-472 (1993)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] H-T.Liu: "Effect of TCNE Addition on the Extraction of Coals and Solubility of Coal Extracts" Energy Fuels. 7. 1108-1111 (1993)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] T.Aida: "Solvent Swelling Dynamics of Coal" Proc.7th Interm.Conf.Coal Sci.2. 445-448 (1993)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] T.Takanohashi: "Evaluation of Association of Solvent Soluble Molecules of Bituminous Coal by Computer Simulation" Energy Fuels. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] K.Nakamura: "CAMD Study of Coal Model Molecules. 1. Estimation of Physical Density of Coal Model Molecules" Energy Fuels. 7. 347-350 (1993)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] E.M.Suuberg: "Role of Moisture in Coal Structure and the Effects of Drying Upon the Accessibility of Coal Structure" Energy Fuels. 7. 384-392 (1993)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] K.Nakamura: "CAMD Study of Coal Model Molecules. 2. Density Simulation for Four Japanese Coals" Energy Fuels. 7. 469-472 (1993)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] H-T.Liu: "Effect of TCNE Addition on the Extraction of Coals and Solubility of Coal Extracts" Energy Fuels. 7. 1108-1111 (1993)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] T.Aida: "Solvent Swelling Dynamics of Coal" Proc. 7th Intern. Conf. Coal Sci.2. 445-448 (1993)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] T.Takanohashi: "Evaluation of Association of Solvent Soluble Molecules of Bituminous Coal by Computer Simulation" Energy Fuels. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1993 Final Research Report Summary
  • [Publications] T.TAKANOHASHI: "Effect Maceral Composition on the Extraction of Bituminous Coals with Carbon Disulphide-N-Methy1-2-pyrrolidinone Mixed Solvent af Room Temperature" Fuel. 72. 51-55 (1993)

    • Related Report
      1992 Annual Research Report
  • [Publications] T.ISHIZUKA: "Effects of the Additives and Oxygen on Extraction Yield with Carbon Disulfide-N-Methy1-2-pyrrolidinone Mixed Solvent for Argonne Premeum Coal Samples" Fuel,in press.

    • Related Report
      1992 Annual Research Report
  • [Publications] M.SASAKI: "Fluidity of Coal with Respect to Charge-Transfer Ability" Energy and Frels. 6. 758-759 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] M.NOMURA: "A Study on unit structure of bituminous Akabira coal" Fuel Process.Technol.31. 169-180 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] T.AIDA: "Empirical Evaluation of Coal Affinity for Various Chemicals" Prepr.Pap.-Am.Chem.Soc.Div.Fuel Chem.,.

    • Related Report
      1992 Annual Research Report
  • [Publications] K.NAKAMURA: "CAMD study of coal model moelcrles.1.Estimation of physical density of coal model molecules" Energy and Fuels,.

    • Related Report
      1992 Annual Research Report

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Published : 1992-04-01   Modified : 2016-04-21  

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