Structure and dynamics in brown coal matrix during moisture removal process by molecular dynamics simulation

Molecular Physics

Volumn 109, Issue 3, 2011, Pages 447-455

  Zhang, Zhiqiang ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

brown coal; drying process; moisture content; molecular dynamics; oxygen moieties

Indexed keywords

BROWN COAL; CARBONYL GROUPS; DRYING PROCESS; HYDRATION SHELL; MOISTURE CONTENT; MOISTURE CONTENTS; MOISTURE REMOVAL; MOLECULAR DYNAMICS SIMULATIONS; ROTATIONAL MOBILITY; STRUCTURE AND DYNAMICS; WATER MOLECULE; WATER SYSTEM;

COAL INDUSTRY; DRYING; DYNAMICS; HYDRATION; LIGNITE; MOISTURE DETERMINATION; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR OXYGEN; WATER CONTENT;

COAL RESEARCH;

EID: 79951728396     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.528055     Document Type: Article

References (20)

1. S.C. Deevi and E.M. Suuberg, Fuel 66, 454 (1987).
2. M. Karthikeyan, W. Zhonghua and A.S. Mujumdar, Dry. Technol. 27, 403 (2009).
3. H. Katalambula and R. Gupta, Energy Fuels 23, 3392 (2009).
4. D.J. Allardice, L.M. Clemow, G. Favas, W.R. Jackson, M. Marshall and R. Sakurovs, Fuel 82, 661 (2003).
5. K. Norinaga, H. Kumagai, J-i Hayashi and T. Chiba, Energy Fuels 12, 574 (1998).
6. J. Hayashi, K. Norinaga, N. Kudo and T. Chiba, Energy Fuels 15, 903 (2001).
7. S. Mitra, R. Mukhopadhyay and K.S. Chandrasekaran, Physica B 292, 29 (2000).
8. H. Kumagai, J. Hayashi, T. Chiba and K. Nakamura, Abstr. Pap. Am. Chem. Soc. 218, 31 (1999).
9. T. Vu, A. Chaffee and I. Yarovsky, Mol. Simul. 28, 981 (2002).
10. E. Salmon, F. Behar, F. Lorant, P.G. Hatcher and P-M. Marquaire, Org. Geochem. 40, 500 (2009).
11. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola and J.R. Haak, J. Chem. Phys. 81, 3684 (1984).
12. S. Nose, Prog. Theor. Phys. Suppl. 1 (1991).
13. S. Plimpton, J. Comput. Phys. 117, 1 (1995).
14. E.M. Suuberg, Y. Otake, Y. Yun and S.C. Deevi, Energy Fuels 7, 384 (1993).
15. R.S. Yost and D.E. Creasy, Fuel 69, 648 (1990).
16. A. Luzar and D. Chandler, J. Chem. Phys. 98, 8160 (1993).
17. D. Charrière and P. Behra, J. Colloid Interface Sci. 344, 460 (2010).
18. D.J. Allardice and D.G. Evans, Fuel 50, 236 (1971).
19. J. Nishino, Fuel 80, 757 (2001).
20. J. Teixeira, M.C. Bellissent-Funel, S.H. Chen and A.J. Dianoux, Phys. Rev. A 31, 1913 (1985).