Mosher K, He J J, Liu Y Y, et al. 2013. Molecular simulation of methane adsorption in micro-and mesoporous carbons with applications to coal and gas shale systems. Int J Coal Geol, 109-110: 36-44
[2]
Nakamura K, Takanohashi T, Lino M, et al. 1995. A model structure of Zao Zhuang bituminous coal. Energy Fuels, 9: 1003-1010
[3]
Narkiewicz M R, Mathews J P. 2009. Visual representation of carbon dioxide adsorption in a low-volatile bituminous coal molecular model. Energy Fuels, 23: 5236-5246
[4]
Nishino J. 2001. Adsorption of water vapor and carbon dioxide at carboxylic functional. Fuel, 80: 757-764
[5]
Ottiger S, Pini R, Storti G, et al. 2008. Competitive adsorption equilibria of CO2 and CH4 on a dry coal. Adsorption, 14: 539-556
[6]
Park S H, Sposito G. 2000. Monte Carlo simulation of total radial distribution functions for interlayer water in Li-, Na-, and K-montmorillonite hydrates. J Phys Chem B, 104: 4642-4648
[7]
Pini R, Ottiger S, Storti G, et al. 2009. Pure and competitive adsorption of CO2, CH4 and N2 on coal for ECBM. Energy Proc, 1: 1705-1710
[8]
Romanov V. 2007. Coal chemistry for mechanical engineers: From macromolecular thermodynamics to reservoir simulation. Energy Fuels, 21: 1646-1654
[9]
Saghafi A, Faiz M, Roberts D. 2007. CO2 storage and gas diffusivity properties of coals from Sydney Basin, Australia. Int J Coal Geol, 70: 240-254
[10]
Shimada S, Li H Y, Oshima Y, et al. 2005. Displacement behavior of CH4 adsorbed on coals by injecting pure CO2, N2 and CO2-N2 mixture. Environ Geol. 49: 44-52
[11]
Sun P D. 2001. Study on the mechanism of interaction for coal and methane gas. J Coal Sci Eng, 7: 58-63
[12]
Takanohashi T, Lino M, Nakamura K. 1998, Simulation of interaction of coal associates with solvents using the molecular dynamics calculation. Energy Fuels, 12: 1168-1173
[13]
Tambach T J, Mathews J P, Bergen F V. 2009. Molecular exchange of CH4 and CO2 in coal enhanced coalbed methane on a nanoscale. Energy Fuels, 23, 4845-4847
[14]
Thomas G F. 1996. Coalbed methane potential of some Variscan foredeep basins. Geol Soc, 109: 13-26
[15]
White C M, Smith D H, Jones K L, et al. 2005. Sequestration of carbon dioxide in coal with enhanced coalbed methane recovery: A review. Energy Fuels, 19: 659-724
[16]
Xiang J H, Zeng F G, Liang H Z, et al. 2011. Model construction of the macromolecular structure of Yanzhou Coal and its molecular simulation. J Fuel Chem Technol, 39: 481-488
Astashov A V, Belyi A A, Bunin A V. 2008. Quasi-equilibrium swelling and structural parameters of coals. Fuel, 87: 3455-3461
[39]
Brochard L, Vandamme M, Pellenq R J M, et al. 2012. Adsorption-induced deformation of microporous materials coal. Langmuir, 28: 2659-2670
[40]
Busch A, Gensterblum Y, Krooss B M. 2003. Methane and CO2 sorption and desorption measurements on dry Argonne premium coals: Pure components and mixtures. Int J Coal Geol, 55: 205-224
[41]
Busch A, Gensterblum Y, Krooss B M, et al.. 2006. Investigation of high pressure selective adsorption/desorption CO2 and CH4 on coals: An experimental study. Int J Coal Geol, 66: 53-68
[42]
Bustin R M, Clarkson C R. 1998. Geological controls on coalbed methane reservoir capacity and gas content. Int J Coal Geol, 38: 3-26
[43]
Carlson G A. 1992. Computer simulation of the molecular structure of bituminous coal. Energy Fuels, 6: 771-778
[44]
Day S, Sakurovs R, Weir S. 2008. Supercritical gas sorption on moist coals. Int J Coal Geol, 74: 203-214
[45]
Einstein A. 1905. On the movement of small particles suspend edina stationary liquid demanded by the molecular-kinetic theory of heat. Ann Phys (Leipzig), 17: 549-560Ewald P P. 1921. Die berechnung optischer und elekrostatischer gitterpotentiale. Ann Phys, 369: 253-287
[46]
Goodman A L, Campus L M, Schroeder K T. 2005. Direct evidence of carbon dioxide sorption on Argonne premium coals using attenuated total reflectance-fourier transform infrared spectroscopy.Energy Fuels, 19: 471-476
[47]
Goodman A L, Favors R N, Larsen J W. 2006. Argonne coal structure rearrangement caused by sorption of CO2. Energy Fuels, 20: 2537-2543
[48]
Goodman A L. 2009. A comparison study of carbon dioxide adsorption on polydimethylsiloxane, silica gel, and Illinois no. 6 coal using in situ infrared spectroscopy. Energy Fuels, 23: 1101-1106
[49]
Hu H X, Li X C, Fang Z M. 2010. Small-molecule gas sorption and diffusion in coal molecular simulation. Energy, 35: 2939-2944
[50]
Jhon Y H, Cho M, Jeon H R, et al. 2007. Simulation of methane adsorption and diffusion within alkoxy-functionalized IRMOFs exhibiting severely disordered crystal structure. J Phys Chem C, 111: 16618-16625
[51]
Karasawa N, Goddard W A. 1992. Force fields, structures, and properties of polyvinylidene fluoride crystal. Macromolecules, 25: 7268-7281
[52]
Krooss B M, van Bergen F, Gensterblum, Y, et al. 2002. High-pressure methane and carbon dioxide adsorption on dry and moisture-equilibrated Pennsylvanian coals. Int J Coal Geol, 51: 69-91
[53]
Larsen J W, Flowers R A, Hall P J, et al. 1997. Structural rearrangement of strained coals. Energy Fuels, 11: 998-1002
[54]
Larsen J W. 2004. The effects of dissolved CO2 on coal structure and properties. Int J Coal Geo, 57: 63-70
[55]
Levy J H, Day S J, Killingley J S. 1997. Methane capacities of Bowen Basin coals related to coal properties. Fuel, 76: 813-819
[56]
Liu Y Y, Wilcox J. 2012. Effects of surface heterogeneity on the adsorption of CO2 in microporous carbons. Environ Sci Technol, 46: 1940-1947
[57]
Mastalerz M, Gluskoter H, Rupp J. 2004. Carbon dioxide and methane sorption in high volatile bituminous coals from Indiana, USA. Int J Coal Geol, 60: 43-55
[58]
Mayo S L, Olafso B D, Goddard W A. 1990. Dreiding: A generic forcefield. J Phys Chem, 94: 8897-8909
[59]
Metropolis N, Rosenbluth A W, Marshall N, et al. 1953. Equation of state calculations by fast computing machines. J Chem Phys, 21: 1087-1092
[60]
Yang K, Lu X C, Lin Y Z. 2010. Deformation of coal induced by methane adsorption at geological conditions. Energy Fuels, 24: 5955-5964
[61]
Yang Q Y, Zhong C L. 2006a. Electrostatic-field-induced enhancement of gas mixture separation in metal-organic frameworks: A computational study. ChemPhysChem, 7: 1417-1421
[62]
Yang Q Y, Zhong C L. 2006b. Molecular simulation of carbon dioxide/methane/hydrogen mixture adsorption in metal-organic frameworks. J Phys Chem B, 110: 17776-17783