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2015 Journal Article Hybrid Reverse Monte Carlo simulation of amorphous carbon: distinguishing between competing structures obtained using different modeling protocolsFarmahini, Amir H. and Bhatia, Suresh K. (2015). Hybrid Reverse Monte Carlo simulation of amorphous carbon: distinguishing between competing structures obtained using different modeling protocols. Carbon, 83, 53-70. doi: 10.1016/j.carbon.2014.11.013 |
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2015 Journal Article Impact of H2O on CO2 separation from natural gas: comparison of carbon nanotubes and disordered carbonLiu, Lang, Nicholson, David and Bhatia, Suresh K. (2015). Impact of H2O on CO2 separation from natural gas: comparison of carbon nanotubes and disordered carbon. Journal of Physical Chemistry C, 119 (1), 407-419. doi: 10.1021/jp5099987 |
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2015 Journal Article Adsorption of CH4 and CH4/CO2 mixtures in carbon nanotubes and disordered carbons: a molecular simulation studyLiu, Lang, Nicholson, David and Bhatia, Suresh K. (2015). Adsorption of CH4 and CH4/CO2 mixtures in carbon nanotubes and disordered carbons: a molecular simulation study. Chemical Engineering Science, 121, 268-278. doi: 10.1016/j.ces.2014.07.041 |
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2014 Journal Article Differences in the adsorption and diffusion behaviour of water and non-polar gases in nanoporous carbon: role of cooperative effects of pore confinement and hydrogen bondingFarmahini, Amir H. and Bhatia, Suresh K. (2014). Differences in the adsorption and diffusion behaviour of water and non-polar gases in nanoporous carbon: role of cooperative effects of pore confinement and hydrogen bonding. Molecular Simulation, 41 (5-6), 432-445. doi: 10.1080/08927022.2014.976640 |
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2014 Journal Article Slow diffusion of methane in ultra-micropores of silicon carbide-derived carbonShahtalebi, Ali, Farmahini, Amir H., Shukla, Pradeep and Bhatia, Suresh (2014). Slow diffusion of methane in ultra-micropores of silicon carbide-derived carbon. Carbon, 77, 560-576. doi: 10.1016/j.carbon.2014.05.061 |
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2014 Journal Article Understanding adsorption and transport of light gases in hierarchical materials using molecular simulation and effective medium theoryBonilla, Mauricio R., Valiullin, Rustem, Karger, Jorg and Bhatia, Suresh K. (2014). Understanding adsorption and transport of light gases in hierarchical materials using molecular simulation and effective medium theory. Journal of Physical Chemistry C, 118 (26), 14355-14370. doi: 10.1021/jp5028228 |
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2014 Journal Article Adsorption and transport of gases in a supported microporous silica membraneGao, Xuechao, da Costa, Joao C. Diniz and Bhatia, Suresh K. (2014). Adsorption and transport of gases in a supported microporous silica membrane. Journal of Membrane Science, 460, 46-61. doi: 10.1016/j.memsci.2014.02.028 |
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2014 Journal Article Influence of structural heterogeneity on diffusion of CH4 and CO2 in silicon carbide-derived nanoporous carbonFarmahini, Amir H., Shahtalebi, Ali, Jobic, Herve and Bhatia, Suresh K. (2014). Influence of structural heterogeneity on diffusion of CH4 and CO2 in silicon carbide-derived nanoporous carbon. Journal of Physical Chemistry C, 118 (22), 11784-11798. doi: 10.1021/jp502929k |
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2014 Journal Article The fluid dynamic effect on the driving force for a cobalt oxide silica membrane module at high temperaturesJi, G., Wang, G., Hooman, K., Bhatia, S. and da Costa, J. C. Diniz (2014). The fluid dynamic effect on the driving force for a cobalt oxide silica membrane module at high temperatures. Chemical Engineering Science, 111, 142-152. doi: 10.1016/j.ces.2014.02.006 |
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2014 Journal Article Understanding the diffusional tortuosity of porous materials: an effective medium theory perspectiveGao, Xuechao, Diniz da Costa, Joao C. and Bhatia, Suresh K. (2014). Understanding the diffusional tortuosity of porous materials: an effective medium theory perspective. Chemical Engineering Science, 110, 55-71. doi: 10.1016/j.ces.2013.09.050 |
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2014 Journal Article Effects of structural properties of silicon carbide-derived carbons on their electrochemical double-layer capacitance in aqueous and organic electrolytesFiset, Erika, Bae, Jun-Seok, Rufford, Thomas E., Bhatia, Suresh, Lu, Gao Qing and Hulicova-Jurcakova, Denisa (2014). Effects of structural properties of silicon carbide-derived carbons on their electrochemical double-layer capacitance in aqueous and organic electrolytes. Journal of Solid State Electrochemistry, 18 (3), 703-711. doi: 10.1007/s10008-013-2306-x |
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2014 Journal Article Pore accessibility of Ti3SiC2-derived carbonsBae, Jun-Seok, Nguyen, Thanh X. and Bhatia, Suresh K. (2014). Pore accessibility of Ti3SiC2-derived carbons. Carbon, 68, 531-541. doi: 10.1016/j.carbon.2013.11.031 |
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2014 Journal Article Influence of in-plane Stone-Thrower-Wales defects and edge functionalisation on the adsorption of CO2 and H2O on grapheneMurugan, Lalitha, Lakshmipathi, Senthilkumar and Bhatia, Suresh K. (2014). Influence of in-plane Stone-Thrower-Wales defects and edge functionalisation on the adsorption of CO2 and H2O on graphene. RSC Advances, 4 (74), 39576-39587. doi: 10.1039/c4ra06184e |
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2013 Journal Article Friction between solids and adsorbed fluids is spatially distributed at the nanoscaleBhatia, Suresh K. and Nicholson, David (2013). Friction between solids and adsorbed fluids is spatially distributed at the nanoscale. Langmuir, 29 (47), 14519-14526. doi: 10.1021/la403445j |
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2013 Journal Article Scale-up design analysis and modelling of cobalt oxide silica membrane module for hydrogen processingJi, Guozhao, Wang, Guoxiong, Hooman, Kamel, Bhatia, Suresh K. and Diniz da Costa, João C. (2013). Scale-up design analysis and modelling of cobalt oxide silica membrane module for hydrogen processing. Processes, 1 (2), 49-66. doi: 10.3390/pr1020049 |
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2013 Journal Article Molecular simulation of CO2 adsorption in the presence of water in single-walled carbon nanotubesLiu, Lang and Bhatia, Suresh K. (2013). Molecular simulation of CO2 adsorption in the presence of water in single-walled carbon nanotubes. Journal of Physical Chemistry C: Nanomaterials, Interfaces and Hard Matter, 117 (26), 13479-13491. doi: 10.1021/jp403477y |
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2013 Journal Article Structural Modelling of Silicon Carbide-Derived Nanoporous Carbon by Hybrid Reverse Monte Carlo SimulationFarmahini, Amir H., Opletal, George and Bhatia, Suresh K. (2013). Structural Modelling of Silicon Carbide-Derived Nanoporous Carbon by Hybrid Reverse Monte Carlo Simulation. Journal of Physical Chemistry C, 117 (27), 14081-14094. doi: 10.1021/jp403929r |
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2013 Journal Article The transport of gases in a supported mesoporous silica membraneGao, Xuechao, da Costa, João C. Diniz and Bhatia, Suresh K. (2013). The transport of gases in a supported mesoporous silica membrane. Journal of Membrane Science, 438, 90-104. doi: 10.1016/j.memsci.2013.03.042 |
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2013 Journal Article Diffusion Study by IR Micro-Imaging of Molecular Uptake and Release on Mesoporous Zeolites of Structure Type CHA and LTABonilla, Mauricio Rincon, Titze, Tobias, Schmidt, Franz, Mehlhorn, Dirk, Chmelik, Christian, Valiullin, Rustem, Bhatia, Suresh K., Kaskel, Stefan, Ryoo, Ryong and Kaerger, Joerg (2013). Diffusion Study by IR Micro-Imaging of Molecular Uptake and Release on Mesoporous Zeolites of Structure Type CHA and LTA. Materials, 6 (7), 2662-2688. doi: 10.3390/ma6072662 |
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2013 Journal Article Diffusion in pore networks: effective self-diffusivity and the concept of tortuosityBonilla, Mauricio Rincon and Bhatia, Suresh K. (2013). Diffusion in pore networks: effective self-diffusivity and the concept of tortuosity. Journal of Physical Chemistry C, 117 (7), 3343-3357. doi: 10.1021/jp3070954 |
