Separation of Hydrogen and Nitrogen Gases with Porous Graphene Membrane

We designed a series of porous graphene as the separation membrane of H2/N2. The selectivity and permeability could be controlled by drilling various nanopores with different shapes and sizes. The mechanisms of hydrogen and nitrogen to permeate through the porous graphene are different. The small nanopore (pore-11) can only allow the hydrogen molecules to permeate due to the size restriction. In the systems of bigger nanopores (e.g., pore-13, pore-14, etc.), where the pore size is big enough to allow nitrogen molecules to permeate without any restriction, we observed more permeation events of nitrogen than that of hydrogen molecules. The reason is that the van der Waals interactions with the graphene membrane make the nitrogen molecules accumulate on the surface of graphene. When the pore size further increases, the flow of hydrogen molecules exhibits the linear dependence on the pore area, while there is no obvious correlation between the flow of nitrogen molecules and the pore area.

[1]  Hiroshi Shimazaki,et al.  Gas permeation properties of asymmetric carbon hollow fiber membranes prepared from asymmetric polyimide hollow fiber , 1999 .

[2]  T. Düren,et al.  Effect of Surface Group Functionalization on the CO2/N2 Separation Properties of MCM-41: A Grand-Canonical Monte Carlo Simulation Study , 2010 .

[3]  Tai‐Shung Chung,et al.  The strategies of molecular architecture and modification of polyimide-based membranes for CO2 removal from natural gas—A review , 2009 .

[4]  H. Postma,et al.  Rapid sequencing of individual DNA molecules in graphene nanogaps. , 2008, Nano letters.

[5]  Enrico Drioli,et al.  Membrane Gas Separation: A Review/State of the Art , 2009 .

[6]  S. Nakao,et al.  Molecular Modeling of Gas Permeation through an Amorphous Microporous Silica Membrane , 2002 .

[7]  V. Buch,et al.  Path integral simulations of mixed para‐D2 and ortho‐D2 clusters: The orientational effects , 1994 .

[8]  Joshua Schrier,et al.  Helium Separation Using Porous Graphene Membranes , 2010 .

[9]  Donald R Paul,et al.  Gas separation performance of poly(4-vinylpyridine)/polyetherimide composite hollow fibers , 2001 .

[10]  T. Kyotani Control of pore structure in carbon , 2000 .

[11]  A. M. van der Zande,et al.  Impermeable atomic membranes from graphene sheets. , 2008, Nano letters.

[12]  A. Soffer,et al.  The Carbon Molecular Sieve Membranes. General Properties and the Permeability of CH4/H2 Mixture , 1987 .

[13]  Andre K. Geim,et al.  The rise of graphene. , 2007, Nature materials.

[14]  R. Mahajan,et al.  Pushing the limits on possibilities for large scale gas separation: which strategies? , 2000 .

[15]  Tai‐Shung Chung,et al.  Hydrogen separation and purification in membranes of miscible polymer blends with interpenetration networks , 2008 .

[16]  S. Dai,et al.  Porous graphene as the ultimate membrane for gas separation. , 2009, Nano letters.

[17]  Tai‐Shung Chung,et al.  A Review of Microporous Composite Polymeric Membrane Technology for Air-Separation , 1996, Engineering Plastics.

[18]  John P. Collins,et al.  Catalytic Dehydrogenation of Propane in Hydrogen Permselective Membrane Reactors , 1996 .

[19]  SUPARNA DUTTASINHA,et al.  Graphene: Status and Prospects , 2009, Science.

[20]  W. Koros,et al.  Carbon molecular sieve gas separation membranes-I. Preparation and characterization based on polyimide precursors , 1994 .

[21]  H. Reiss,et al.  Conjugated Polymer Films for Gas Separations , 1991, Science.

[22]  Boyang Wang,et al.  Selective ion passage through functionalized graphene nanopores. , 2008, Journal of the American Chemical Society.

[23]  Alexander D. MacKerell,et al.  All-atom empirical potential for molecular modeling and dynamics studies of proteins. , 1998, The journal of physical chemistry. B.

[24]  M. Sahimi,et al.  Experiments and Simulation of Transport and Separation of Gas Mixtures in Carbon Molecular Sieve Membranes , 1998 .

[25]  Pratibha Pandey,et al.  Membranes for gas separation , 2001 .

[26]  Ahmad Fauzi Ismail,et al.  A review on the latest development of carbon membranes for gas separation , 2001 .

[27]  Marija Drndic,et al.  Electron beam nanosculpting of suspended graphene sheets , 2008 .

[28]  Laxmikant V. Kalé,et al.  Scalable molecular dynamics with NAMD , 2005, J. Comput. Chem..

[29]  M. Ulbricht Advanced functional polymer membranes , 2006 .

[30]  H. Verweij,et al.  High-selectivity, high-flux silica membranes for gas separation , 1998, Science.

[31]  Michael Freemantle,et al.  MEMBRANES FOR GAS SEPARATION , 2005 .

[32]  Tapash Chakraborty,et al.  Properties of graphene: a theoretical perspective , 2010, 1003.0391.

[33]  Xiaoqin Liu,et al.  Molecular Simulation for Adsorption and Separation of CH4/H2 in Zeolitic Imidazolate Frameworks , 2010 .