The effects of pore geometry on adsorption equilibrium in shale formations and coal-beds: Lattice density functional theory study

Significance Statement

Textural characterization is a critical step to evaluate the adsorption and transport properties of porous materials. In conventional methods of textural characterization, CO2 or N2 adsorption isotherms are translated into the pore size distribution, pore volume and surface area by utilizing nanoscopic models that correlate adsorption pressure to the pore size. This study shows that the shape of adsorption isotherm is a strong function of the local curvature and geometry of the pores. The new model is fast and simple to implement and it can identify the most dominant geometry of the pores that can describe nanoscale curvature of porous materials. Such information can be fed to pore network models for a more realistic characterization of shale formations.

About the author

Maša Prodanović has been an assistant professor at the Department of Petroleum and Geosystems Engineering, The University of Texas at Austin since August 2010 and will hold associate professor position starting August 2016. She holds a Bachelor of Science in Applied Mathematics from the University of Zagreb, Croatia and a PhD in Computational Applied Mathematics from Stony Brook University, New York, USA. She has held a Research Associate position in the Center for Petroleum and Geosystems Engineering (UT Austin) 2007-2010, and prestigious J. T. Oden Postdoctoral Fellowship at the Institute of Computational Engineering and Sciences 2005-2007, prior to her current post. Her research interests include multiphase flow and image‐based porous media characterization especially applied to microfractured media and tight media, pore network models, shale gas flow, particulate flow and formation damage, sediment mechanics, fracturing and ferrohydrodynamics. Most recently, she received NSF CAREER award in 2013, Interpore Procter & Gamble Research Award for Porous Media Research in 2014 as well as SPE Faculty Innovative Teaching Award in 2014. She organized and co-instructed three short courses on image analysis in porous media between 2011 and 2014. Finally, most recently she started Digital Rocks Portal, web-based repository of porous media images and related experimental and simulation data https://www.digitalrocksportal.org/

Email: [email protected] 

About the author

Ali Qajar has been post doctoral research fellow at the Department of Petroleum and Geosystems Engineering, The University of Texas at Austin since February 2014. He holds a Bachelor of Science and a Master of Science in Chemical Engineering from The Sharif University of Technology, Iran, and a PhD in Chemical Engineering from The Pennsylvania State University, Pennsylvania, USA. His research interests include characterization and utilization of synthetic and geological porous materials, multiphase, particulate and solute flow, filtration, high pressure reactive and separation systems, and sustainable energy production. In addition, He has developed multiple instruments for characterization and utilization of porous materials. He is recipient of John and Jean McWhirter graduate fellowship and Inventor incentive award from The Pennsylvania State University. Most recently, he has fabricated novel pressure sensitive nanofluids and implemented a geomechanical simulator for waterless hydraulic fracturing in The University of Texas at Austin. Email. [email protected]  

 

Journal Reference

Fuel,Volume 163, 1 January 2016, Pages 205-213.

Ali Qajar, Hugh Daigle, Maša Prodanović

Center for Petroleum and Geosystems Engineering, University of Texas at Austin, Austin, TX 78712, United States

Abstract

Textural characterization is a critical step to assess and evaluate petrophysical properties of unconventional reservoirs, including shale-gas, coalbed and tight-gas systems. Gas adsorption, typically with N2 at 77 K or CO2 at 273 K, is the widely used method for such characterizations. To translate adsorption data into useful petrophysical quantities such as pore size, pore connectivity, and pore volume, one needs to exploit appropriate correlations to link molecular scale interactions and macro-scale phenomena. One important yet under-studied property of unconventional matrices is their true pore structure and its effects on fluid thermodynamics inside pore space. Herein, based on lattice density functional theory, we have developed a multilayer adsorption model with parameterized energy terms, to determine effects of pore shape and pore size (of shale and coal samples) on the thermodynamic state of reservoir fluid. The model is extended from its original slit pore geometry into cylindrical and spherical geometries to consider the effects of local pore curvature on adsorption energetics and uptakes mainly in mesopores (between 2 and 50 nm). In addition, the surface energy term is modified to consider the effect of the force field exerted by pore walls on both the adlayer and subsequent adsorbed layers. Modification of the energy term resulted in layer-by-layer, two-dimensional condensation followed by the final capillary condensation. The force field exerted by the pore walls together with local pore curvature shifted the condensation pressures toward lower relative pressures (P/P0). By applying the model to Nporosimetry isotherms at 77 K for two reference samples, ordered mesoporous silica (SBA-15) and ordered mesoporous carbon (OMC), the model confirmed essentially cylindrical pore structure for both samples. The model was further applied to N2 at 77 K porosimetry isotherms of Woodford shale and Cameo coal samples, and identified the pore structures of the samples as dominated by cylindrical and slit pore geometries, respectively.

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