Summary of Research Project Results Under the JSPS FY2000
"Research for the future Program"



1.Research Institution Tohoku University
 
2.University-Industry Cooperative Research Committee 148th Committee on Coal Utilization Technology
 
3.Term of Project FY1996〜FY2000
 
4.Project Number 96R14801
 
5.Title of Project Molecular Engineering of Coal : Supramolecular Structure and Novel Utilization Technology

6.Projetct Leader
Name Institution,Department Title of Position
Masashi Iino Tohoku University, Institute for Chemical Reaction Science Professor

7.Core Members

Names Institution,Department Title of Position
Akira Tomita Tohoku University, Institute for Chemical Reaction Science Professor
Masakatsu Nomura Osaka University, Graduate school of Engineering Professor
Jun-ichiro Hayashi Hokkaido University, Center for Advanced Research of Energy Technology Associate Professor

8.Cooperating Researchers

Names Institution,Department Title of Position
Kouichi Miura Kyoto University, Graduate school of Engineering Professor
Tetsuo Aida Kinki University, Kyushu school of Engineering Professor
Atsushi Ishihara Tokyo University of Agriculture and Technology, Faculty of Engineering Associate Professor

9.Summary of Research Results

I. The methods to get reliable data on carbon structure distribution and oxygen functionality of coal were developed.
II. (1) Hydrogen bonds distribution and aromatic ring stacking structures of colas were successfully estimated for the first time. (2) Sorption states of water on coal surface and hydrogen exchange rates of coal functional groups with water were estimated. (3) Aggregation behaviors of coal molecules were clarified from solvent extractions and computer simulations. (4) Analysis of non-covalent and covalent network structures of coals was carried out. (5) Several parameters for the characterization of coal supramolecular structure were established.
III. The structure parameters described above were determined for heat- and solvent-treated coals. IV. The increases in pyrolysis tar yields and hydrogenation products yields were observed for aromatic ring - hydrogenated coals and by the addition of water in the hydrogenation respectively. Effective enzymes and microorganisms efficient for coal dissolution were found.
The formation of gels was observed in concentrated solution of coal extracts in organic solvents.

10.Key Words

(1)coal、(2)supramolecular structure、(3)higher order structure
(4)associative interaction、(5)network structure、(6)solvent treatment
(7)heat treatment、(8)coal conversion、(9)coal-solvent gel

11.References

[Reference Articles]
Author Title of Article
T. Takanohashi Study on Coal Gels Formed by Coal - Solvent Interactions
Journal Volume Year Pages Concerned
Energy Fuels 12 1998 470-476

Author Title of Article
K. Shimizu Sorption Behaviors of Various Organic Vapors to Argonne Premium Coal Samples
Journal Volume Year Pages Concerned
Energy Fuels 12 1998 891-896

Author Title of Article
T. Takanohashi Simulation of Interaction of Coal Associates with Solvents Using the Molecular Dynamics Calculation
Journal Volume Year Pages Concerned
Energy Fuels 12 1998 1168-1173

Author Title of Article
M. Nomura Strucural Evaluation of Zao Zhuang Coal
Journal Volume Year Pages Concerned
Energy Fuels 12 1998 512-523

Author Title of Article
Y. Iwai Drying of Coals by Using Supercritical Carbon Dioxide
Journal Volume Year Pages Concerned
Ind. Eng. Chem. Res. 37 1998 2893-2896

Author Title of Article
J. -i. Hayashi Evaluation of Macromolecular Structure of a Brown Coal by Means of Oxidative Degradation in Aqueous Phase
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 69-76

Author Title of Article
T. Takanohashi Irreversible Structural Changes in Coals during Heating
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 506-512

Author Title of Article
H. Gao Statistical Distribution Characteristics of Pyridine Transport in Coal Particles and a Series of New Phenomenological Models for Overshoot and Nonovershoot Solvent Swelling of Coal Particles
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 518-528

Author Title of Article
J. -i. Hayashi Effect of Sorbed Water on Conversion of Coal by Rapid Pyrolysis
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 611-616

Author Title of Article
T. Takanohashi Computer Simulation of Methanol Swelling of Coal Molecules
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 922-926

Author Title of Article
K. Norinaga Evaluation of Effect of Predrying on the Porous Structure of Water-Swollen Coal Based on the Freezing Property of Pore Condensed Water
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 1058-1066

Author Title of Article
C. Chen Observation of the Interaction of TCNQ with Coal Aromatics by UV-Visible Spectroscopy
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 1105-1106

Author Title of Article
J. -i. Hayashi Quantitative Description of Oxidative Degradation of Brown Coal in Aqueous Phase on the Basis of Bethe Lattice Statistics
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 1230-1238

Author Title of Article
K. Norinaga Microheterogeneity of Solvent-Swollen Coal Probed by Proton Spin Diffusion
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 1239-1245

Author Title of Article
A. Sharma A New Quantitative Approach for Microstructural Analysis of Coal Char Using HRTEM Images
Journal Volume Year Pages Concerned
Fuel 79 1999 1203-1212

Author Title of Article
H. Takagi Effects of Solvents on the Hydrogenation of Mono-Aromatic Compounds Using Noble-Metal Catalysts
Journal Volume Year Pages Concerned
Energy Fuels 13 1999 1191-1196

Author Title of Article
K. Kidena Estimation of the Average Aromatic Cluster Size Based on Solid-State NMR Measurement of Coal
Journal Volume Year Pages Concerned
Journal of the Japan Institute of Energy 78 1999 869-876

Author Title of Article
T. Takanohashi Computer Simulation of Solvent Swelling of Coal Molecules: Effect of Different Solvents
Journal Volume Year Pages Concerned
Energy Fuels,, (2000) 14 2000 393-399

Author Title of Article
K. Norinaga Mobilization of the Hydroxyls in a Brown Coal with Solvent-Induced Swelling Evaluated by Pulsed 1H-NMR
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 503-508

Author Title of Article
A. Sharma Direct Observation of Layered Structure of Coals Using a Transmission Electron Microscope
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 515-516

Author Title of Article
T. Kabe Elucidation of Hydrogen Mobility in Coal Using a Tritium Tracer Method. Hydrogen Exchange Reaction of Coal with Tritiated Gaseous Hydrogen
Journal Volume Year Pages Concerned
Fuel 79 2000 311-316

Author Title of Article
T. Takanohashi Sorption Behaviors of Methanol Vapor by Coal Extracts and Residues
Journal Volume Year Pages Concerned
Fuel 79 2000 349-353

Author Title of Article
T. Takanohashi Effect of Lighter Constituents on the Solubility of Heavy Constituent of Coals
Journal Volume Year Pages Concerned
Fuel 79 2000 955-960

Author Title of Article
E. S. Giray Increase of the Extraction Yields of Coals by the Addition of Aromatic Amines
Journal Volume Year Pages Concerned
Fuel 79 2000 1533-1538

Author Title of Article
S. Murata Analysis of Oxygen-Functional Groups in Brown Coals
Journal Volume Year Pages Concerned
Fuel Process. Technol. 67 2000 231-243

Author Title of Article
K. Kidena Examination of the Measurement Conditions for 1H-CRAMPS NMR of Coal
Journal Volume Year Pages Concerned
American Laboratory News 32 2000 24-25

Author Title of Article
A. Sharma Direct Observation of Raw Coals in Lattice Fringe Mode Using High-Resolution Transmission Electron Microscopy
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 1219-1225

Author Title of Article
T. Takanohashi Effect of Lighter Constituents on the Solubility of Heavy Constituent of Coals
Journal Volume Year Pages Concerned
Fuel 79 2000 955-960

Author Title of Article
T. Takanohashi An Inverse Liquid Chromatography Study of the Interaction of Organic Compounds with Argonne Premium Coals
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 720-726

Author Title of Article
T. Takanohashi Adsorption and Diffusion of Alcohol Vapors for Argonne Premium Coals
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 915-919

Author Title of Article
I. Mochida Catalysts for Coal Conversions of the Next Generation
Journal Volume Year Pages Concerned
Fuel 79 2000 221-228

Author Title of Article
A. Ishihara Hydrogen Exchange Reaction of Coal with Tritiated Gaseous Hydrogen and Water. Effects of Particle Size of Coal on Hydrogen Exchange
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 706-711

Author Title of Article
H. Takagi Relationship Between Pyrolysis Reactivity and Aromatic Structure of Coal
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 646-653

Author Title of Article
K. Norinaga On the Association Model for Treating Hydrogen Bonding Interaction of a Solvent-Swollen Coal
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 762-764

Author Title of Article
K. Norinaga Viscoelastic Properties of Concentrated Solution of Coal with N-Methy1-2-Pyrrolidinone
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 1121-1122

Author Title of Article
K. Norinaga Characterization of Micro-Domain Structure of Solvent-Swollen Coal by Proton Spin Diffusion and Small Angle Neutron Scattering
Journal Volume Year Pages Concerned
Energy Fuels 14 2000 1245-1251

Author Title of Article
K. Takahashi Effect of Addition of Various Salts on Coal Extraction with Carbon Disulfide/N-Methy1-2-pyrrolidinone Mixed Solvent
Journal Volume Year Pages Concerned
Energy Fuels 15 2001 141-146

Author Title of Article
H. Shui Effect of Tetrabutylammonium Acetate Addition on the Aggregation of Coal Molecules at Solution and Solid States
Journal Volume Year Pages Concerned
Energy Fuels 15 2001 487-491

Author Title of Article
K. Sakanishi Effects of Organic Acid Pretreatment on the Structure and Pyrolysis Reactivity of Coals
Journal Volume Year Pages Concerned
Fuel 80 2001 273-281

Author Title of Article
J. -i. Hayashi Estimation of Size and Shape of Pores in Moist Coal Utilizing Sorbed Water as a Molecular Probe
Journal Volume Year Pages Concerned
Energy Fuels   2001 in press

Author Title of Article
V. J. Wargadalam Hydrodynamic Properties of Coal Extracts in Pyridine
Journal Volume Year Pages Concerned
Energy Fuels   2001 in press

Author Title of Article
H. Kawashima Construction of Model Structures of Upper Freeport Coal Extracts Using 13C NMR Chemical Shift Calculations
Journal Volume Year Pages Concerned
Energy Fuels   2001 in press

Author Title of Article
K. Miura Extraction of Coal below 350 ℃ in Flowing Non-polar Solvent
Journal Volume Year Pages Concerned
Fuel   2001 in press

Author Title of Article
K. Miura Estimation of Hydrogen Bond Distribution in Coal through the Analysis of OH Stretching Bands in Diffuse Reflectance Infrared Spectrum measured by In Situ Technique
Journal Volume Year Pages Concerned
Energy Fuels   2001 in press

[Reference Books]
Author Title of Book
M. Iino Plenum Press, New York
Publisher Year Pages
"Structures and Dynamics of Asphaltenes", Chapter 6 Molecular and Colloidal Structure of Coal Asphaltenes and Other Heavy Solvent Soluble Components 1998 Chapter 6,24


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