Gas storage and separation

Carbon Dioxide and Methane storage and separation with porous materials

Our interest is to understand the storage and separation of CO2 in porous media (MOF, Carbon based porous material). In addition, we are looking thermodynamics and transport properties of the shale gases.


  • Rahimi M, Singh JK, Babu DJ, Schneider JJ and Muller-Plathe F, Understanding carbon dioxide adsorption in carbon nanotube arrays: Molecular simulation and adsorption measurements.J. Phys. Chem. C, 117, 13492−13501 (2013)
  • Singh SK, Saha A, and Singh JK, A Molecular Simulation Study of Vapor-Liquid Critical Properties of a Simple Fluid in Attractive Slit Pores: Crossover from 3D to 2D J. Phys. Chem. B. 114, 4283(2010)
  • Singh SK and Singh JK, Effect of pore morphology on vapor-liquid phase transition and crossover behavior of critical properties from 3D to 2D, Fluid Phase Equil. 300,182 (2011)
  • Jana S, Singh JK and Kwak SK, Vapor-liquid critical and interfacial properties of square-well fluids in slit pores, J. Chem. Phys.,130,214707 (2009)
  • Singh SK, Sinha A, Deo G, and Singh JK, Vapor-liquid phase coexistence, critical properties and surface tension of confined alkanes, J. Phys. Chem. C, 113,7170(2009)