Grant-in-Aid for international Scientific Research
|Allocation Type||Single-year Grants|
|Research Institution||Tohoku University|
IINO Masashi Tohoku University, Institute for Chemical Reaction Science, Professor, 反応化学研究所, 教授 (10006306)
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
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)
|Keywords||Coal Cross-Link Structure / Non-Covalent Bond / Solvent Treatment / Heat Treatment / Solvent Swelling / Coal Structure Model|
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.