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2024 Journal Article Influence of pore length non-uniformity on transport properties of random nanopore networksShen, Ao, Zuluaga-Bedoya, Christian C. and Bhatia, Suresh K. (2024). Influence of pore length non-uniformity on transport properties of random nanopore networks. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 702 135124, 135124. doi: 10.1016/j.colsurfa.2024.135124 |
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2024 Journal Article Site-selective Mg-doping regulated charge storage in NaFe2PO4(SO4)2 for high energy sodium-ion batteriesPinjari, Sharad Dnyanu, Dutta, Ravi C., Chen, Shuimei, Mudavath, Purandas, Huang, Xiaodan, Bell, John, Bhatia, Suresh K., Nanjundan, Ashok Kumar and Gaddam, Rohit Ranganathan (2024). Site-selective Mg-doping regulated charge storage in NaFe2PO4(SO4)2 for high energy sodium-ion batteries. Chemical Engineering Journal, 493 152485, 1-11. doi: 10.1016/j.cej.2024.152485 |
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2024 Journal Article On the increased interfacial resistance of hydrogen in carbon nanotube arrays and its effect on gas mixture separationKratzer, Matthew M., Bhatia, Suresh K. and Klimenko, Alexander Y. (2024). On the increased interfacial resistance of hydrogen in carbon nanotube arrays and its effect on gas mixture separation. Journal of Applied Physics, 135 (23) 234301. doi: 10.1063/5.0207999 |
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2024 Journal Article Pure Hydrogen and Methane Permeation in Carbon-Based Nanoporous Membranes: Adsorption Isotherms and Permeation ExperimentsKurth, Matthis, Javed, Mudassar, Schliermann, Thomas, Brösigke, Georg, Kämnitz, Susanne, Bhatia, Suresh K. and Repke, Jens-Uwe (2024). Pure Hydrogen and Methane Permeation in Carbon-Based Nanoporous Membranes: Adsorption Isotherms and Permeation Experiments. Membranes, 14 (6) 123, 123. doi: 10.3390/membranes14060123 |
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2024 Journal Article Influence of polymer support on gas transport in ultrathin zeolite membranesZuluaga-Bedoya, Christian C., Dutta, Ravi C., Monsalve-Bravo, Gloria M. and Bhatia, Suresh K. (2024). Influence of polymer support on gas transport in ultrathin zeolite membranes. Journal of Membrane Science, 697 122510, 1-17. doi: 10.1016/j.memsci.2024.122510 |
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2024 Journal Article Structure of diclofenac in an aqueous medium and its adsorption onto carbons: Molecular insights through simulationRichard, Axel, Camara, Fatokhoma A., Ramézani, Hamidréza, Mathieu, Nathalie, Delpeux, Sandrine and Bhatia, Suresh K. (2024). Structure of diclofenac in an aqueous medium and its adsorption onto carbons: Molecular insights through simulation. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 686 133373, 133373. doi: 10.1016/j.colsurfa.2024.133373 |
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2024 Journal Article Interpreting gas sorption isotherms in glassy polymers using a Bayesian framework: a view on parameter uncertainty propagation into mixture sorption predictionsMonsalve-Bravo, Gloria M., Dutta, Ravi C., Zuluaga-Bedoya, Christian C., Adams, Matthew P., Smart, Simon, Konarova, Muxina and Bhatia, Suresh K. (2024). Interpreting gas sorption isotherms in glassy polymers using a Bayesian framework: a view on parameter uncertainty propagation into mixture sorption predictions. Journal of Membrane Science, 689 122159, 1-19. doi: 10.1016/j.memsci.2023.122159 |
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2023 Journal Article Molecular modeling of gaseous mercury species adsorption and transport in nanoporous silica membranesShen, Ao, Zuluaga-Bedoya, Christian C. and Bhatia, Suresh K. (2023). Molecular modeling of gaseous mercury species adsorption and transport in nanoporous silica membranes. Fuel, 351 128914, 1-12. doi: 10.1016/j.fuel.2023.128914 |
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2023 Journal Article Structure and ion transport in super-concentrated water-in-salt electrolytes: insights from molecular dynamics simulationsDutta, Ravi C. and Bhatia, Suresh K. (2023). Structure and ion transport in super-concentrated water-in-salt electrolytes: insights from molecular dynamics simulations. Electrochimica Acta, 462 142772, 1-13. doi: 10.1016/j.electacta.2023.142772 |
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2023 Journal Article Stochastic models of free-molecular nanopore flowsKratzer, Matthew M., Bhatia, Suresh K. and Klimenko, Alexander Y. (2023). Stochastic models of free-molecular nanopore flows. The Journal of Chemical Physics, 158 (21) 214101, 1-11. doi: 10.1063/5.0148289 |
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2023 Journal Article Clustering of caffeine in water and its adsorption in activated carbon: molecular simulations and experimentsRamézani, Hamidréza, Ellien, Ianis, El Oufir, Zineb, Mathieu, Nathalie, Delpeux, Sandrine and Bhatia, Suresh K. (2023). Clustering of caffeine in water and its adsorption in activated carbon: molecular simulations and experiments. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 673 131645. doi: 10.1016/j.colsurfa.2023.131645 |
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2023 Journal Article Influence of host-framework flexibility on gas transport properties of nanosheets and finite-size nanomaterialsZuluaga-Bedoya, Christian C. and Bhatia, Suresh K. (2023). Influence of host-framework flexibility on gas transport properties of nanosheets and finite-size nanomaterials. The Journal of Physical Chemistry C, 127 (15), 7445-7460. doi: 10.1021/acs.jpcc.2c08833 |
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2023 Journal Article Knudsen layer behaviour and momentum accommodation from surface roughness modellingKratzer, Matthew M., Bhatia, Suresh K. and Klimenko, Alexander Y. (2023). Knudsen layer behaviour and momentum accommodation from surface roughness modelling. Journal of Statistical Physics, 190 (3) 63. doi: 10.1007/s10955-023-03075-w |
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2023 Journal Article On the origin of interfacial resistance in ideal nanomaterialsBhatia, Suresh K. and Dutta, Ravi C. (2023). On the origin of interfacial resistance in ideal nanomaterials. The Journal of Physical Chemistry C, 127 (4), 2035-2044. doi: 10.1021/acs.jpcc.2c07828 |
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2022 Journal Article Modelling the formation, growth and coagulation of soot in a combustion system using a 2-D population balance modelHenderson, Luke, Shukla, Pradeep, Rudolph, Victor and Bhatia, Suresh K. (2022). Modelling the formation, growth and coagulation of soot in a combustion system using a 2-D population balance model. Combustion and Flame, 245 112303, 112303. doi: 10.1016/j.combustflame.2022.112303 |
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2022 Journal Article Experimental and numerical study on the kinetics of CO2–N2 clathrate hydrates formation in silica gel column with dodecyltrimethylammonium chloride for effective carbon captureZhang, Fengyuan, Bhatia, Suresh K., Wang, Bo, Chalermsinsuwan, Benjapon and Wang, Xiaolin (2022). Experimental and numerical study on the kinetics of CO2–N2 clathrate hydrates formation in silica gel column with dodecyltrimethylammonium chloride for effective carbon capture. Journal of Molecular Liquids, 363 119764, 1-9. doi: 10.1016/j.molliq.2022.119764 |
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2022 Journal Article Correction to “System size-dependent transport properties in materials of nanoscale dimension”Dutta, Ravi C., Zuluaga-Bedoya, Christian C. and Bhatia, Suresh K. (2022). Correction to “System size-dependent transport properties in materials of nanoscale dimension”. The Journal of Physical Chemistry Part C, 126 (7), 3796-3796. doi: 10.1021/acs.jpcc.2c00706 |
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2021 Journal Article Influence of force field used in carbon nanostructure reconstruction on simulated phenol adsorption isotherms in aqueous mediumEl Oufir, Zineb, Ramézani, Hamidréza, Mathieu, Nathalie, Delpeux, Sandrine and Bhatia, Suresh K. (2021). Influence of force field used in carbon nanostructure reconstruction on simulated phenol adsorption isotherms in aqueous medium. Journal of Molecular Liquids, 344 117548, 117548. doi: 10.1016/j.molliq.2021.117548 |
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2021 Journal Article Nonuniformity of transport coefficients in ultrathin nanoscale membranes and nanomaterialsZuluaga-Bedoya, Christian C., Dutta, Ravi C. and Bhatia, Suresh K. (2021). Nonuniformity of transport coefficients in ultrathin nanoscale membranes and nanomaterials. ACS Applied Materials and Interfaces, 13 (49), 59546-59559. doi: 10.1021/acsami.1c18659 |
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2021 Journal Article Assessment of CO2 adsorption capacity in Wollastonite using atomistic simulationRamézani, Hamidréza, Jeong, Jena, Bhatia, Suresh K. and Papadakis, Vagelis G. (2021). Assessment of CO2 adsorption capacity in Wollastonite using atomistic simulation. Journal of CO2 Utilization, 50 101564, 101564. doi: 10.1016/j.jcou.2021.101564 |
