Deformation of Coal Induced by Methane Adsorption at Geological Conditions

The quenched solid density functional theory (QSDFT) is employed to study methane adsorption on coal at geological conditions. The main focus is made on coal deformation in the course of adsorption that may result in either expansion/swelling or contraction, depending upon the pressure, temperature, and pore size. Two qualitatively different types of deformation behavior were found depending upon the pore width. Type I shows a monotonic expansion in the whole pressure range. This behavior is characteristic for the smallest pores <1.3σff (0.5 nm) that cannot accommodate more than one layer of methane. Type II displays contraction at low pressures followed by expansion. Type II behavior was found for several groups of pores, which can accommodate dense packing with an integer number (from 2 to 6) of adsorbed layers. The results of the QSDFT model are compared to literature experimental data, and the model is employed to study the adsorption behavior of model coals at elevated pressures and temperatures. We ...

[1]  M. A. Barakat,et al.  The change in effective stress associated with shrinkage from gas desorption in coal , 2001 .

[2]  Tennille E. Mares,et al.  Influence of moisture content and temperature on methane adsorption isotherm analysis for coals from a low-rank, biogenically-sourced gas reservoir , 2008 .

[3]  Neil Sherwood,et al.  The influence of petrological properties and burial history on coal seam methane reservoir characterisation, Sydney Basin, Australia , 2007 .

[4]  A. Neimark,et al.  Calibration of Pore Volume in Adsorption Experiments and Theoretical Models , 1997 .

[5]  Jeffrey R. Levine,et al.  Model study of the influence of matrix shrinkage on absolute permeability of coal bed reservoirs , 1996, Geological Society, London, Special Publications.

[6]  Greg Duffy,et al.  Temperature dependence of sorption of gases by coals and charcoals , 2008 .

[7]  B. B. Dhar,et al.  Issues and options for reducing methane emission to the atmosphere from Indian coal mining , 1996 .

[8]  A. Jiménez-lópez,et al.  Effects of textural and surface characteristics of microporous activated carbons on the methane adsorption capacity at high pressures , 2007 .

[9]  Peter T. Cummings,et al.  Water Adsorption in Carbon-Slit Nanopores , 2003 .

[10]  K. Kaneko,et al.  An analytical method of micropore filling of a supercritical gas , 1997 .

[11]  R. Marc Bustin,et al.  Volumetric strain associated with methane desorption and its impact on coalbed gas production from deep coal seams , 2005 .

[12]  Victor Rudolph,et al.  An improved permeability model of coal for coalbed methane recovery and CO2 geosequestration , 2009 .

[13]  D. Do,et al.  Effects of Adsorbent Deformation on the Adsorption of Gases in Slitlike Graphitic Pores: A Computer Simulation Study , 2008 .

[14]  A. Neimark,et al.  Density functional theory model of adsorption deformation. , 2006, Langmuir : the ACS journal of surfaces and colloids.

[15]  Andreas Busch,et al.  Evolution of methane sorption capacity of coal seams as a function of burial history — a case study from the Campine Basin, NE Belgium , 2006 .

[16]  A. Fomkin.  Adsorption of Gases, Vapors and Liquids by Microporous Adsorbents , 2005 .

[17]  Terrence Paul Medhurst.  Estimation of the in situ strength and deformability of coal for engineering design , 1996 .

[18]  E. Brodskaya,et al.  Influence of a Surface Microheterogeneity on the Disjoining Pressure of Adsorbed Lennard–Jones Fluid. Computer Simulation , 2003 .

[19]  D. Mainwaring,et al.  Adsorption-induced dimensional changes of solids , 2002 .

[20]  G. Scherer.  Dilatation of Porous Glass , 1986 .

[21]  L. Connell,et al.  A theoretical model for gas adsorption-induced coal swelling , 2007 .

[22]  C. M. White,et al.  Sequestration of Carbon Dioxide in Coal with Enhanced Coalbed Methane RecoveryA Review , 2005 .

[23]  A. Neimark,et al.  Density functional theories and molecular simulations of adsorption and phase transitions in nanopores. , 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

[24]  M. Dubinin,et al.  Deformation of zeolite CaNaX during xenon adsorption , 1977 .

[25]  Christopher R. Clarkson,et al.  The effect of pore structure and gas pressure upon the transport properties of coal: a laboratory and modeling study. 1. Isotherms and pore volume distributions , 1999 .

[26]  Peter J. Crosdale,et al.  Role of coal type and rank on methane sorption characteristics of Bowen Basin, Australia coals , 1999 .

[27]  Stuart Day,et al.  Methane capacities of Bowen Basin coals related to coal properties , 1997 .

[28]  Ralf Littke,et al.  Development of the micro- and ultramicroporous structure of coals with rank as deduced from the accessibility to water , 2005 .

[29]  G Gürdal,et al.  Gas adsorption capacity of Carboniferous coals in the Zonguldak basin (NW Turkey) and its controlling factors , 2000 .

[30]  A. Neimark,et al.  Adsorption-induced deformation of microporous carbons: pore size distribution effect. , 2008, Langmuir : the ACS journal of surfaces and colloids.

[31]  R. L. Robinson,et al.  Modeling the adsorption of pure gases on coals with the SLD model , 2003 .

[32]  P. Hatcher,et al.  On the porous structure of coals: Evidence for an interconnected but constricted micropore system and implications for coalbed methane recovery , 1997 .

[33]  R. Bustin,et al.  Geological controls on coalbed methane reservoir capacity and gas content , 1998 .

[34]  R. Marc Bustin,et al.  Adsorption-induced coal swelling and stress: Implications for methane production and acid gas sequestration into coal seams , 2007 .

[35]  A. Cheetham,et al.  Synchrotron X-ray powder diffraction and computational investigation of purely siliceous zeolite Y under pressure. , 2004, Journal of the American Chemical Society.

[36]  Raymond C. Pilcher,et al.  Status of worldwide coal mine methane emissions and use , 1998 .

[37]  D. Do,et al.  Effect of adsorption deformation on thermodynamic characteristics of a fluid in slit pores at sub-critical conditions , 2006 .

[38]  Basil Beamish,et al.  Coalbed methane sorption related to coal composition , 1998 .

[39]  Y. Gensterblum,et al.  High-pressure methane and carbon dioxide adsorption on dry and moisture-equilibrated Pennsylvanian coals , 2002 .

[40]  Victor Rudolph,et al.  Simulation of binary mixture adsorption of methane and CO2 at supercritical conditions in carbons , 2006 .

[41]  Christopher R. Clarkson,et al.  Variation in micropore capacity and size distribution with composition in bituminous coal of the Western Canadian Sedimentary Basin: Implications for coalbed methane potential , 1996 .

[42]  R. Marc Bustin,et al.  IMPLICATIONS OF VOLUMETRIC SWELLING/SHRINKAGE OF COAL IN SEQUESTRATION OF ACID GASES , 2004 .

[43]  K. Gubbins,et al.  Solvation pressures for simple fluids in micropores , 1993 .