| Simulations of binary mixture adsorption of carbon dioxide and methane in carbon nanotubes: temperature, pressure, and pore size effects L Huang, L Zhang, Q Shao, L Lu, X Lu, S Jiang, W Shen The Journal of Physical Chemistry C 111 (32), 11912-11920, 2007 | 169 | 2007 |
| Toward understanding reactive adsorption of ammonia on Cu-MOF/graphite oxide nanocomposites C Petit, L Huang, J Jagiello, J Kenvin, KE Gubbins, TJ Bandosz Langmuir 27 (21), 13043-13051, 2011 | 157 | 2011 |
| Molecular simulation study of temperature effect on ionic hydration in carbon nanotubes Q Shao, L Huang, J Zhou, L Lu, L Zhang, X Lu, S Jiang, KE Gubbins, ... Physical Chemistry Chemical Physics 10 (14), 1896-1906, 2008 | 98 | 2008 |
| Molecular dynamics simulation study of the structural characteristics of water molecules confined in functionalized carbon nanotubes LL Huang, LZ Zhang, Q Shao, J Wang, LH Lu, XH Lu, SY Jiang, WF Shen The Journal of Physical Chemistry B 110 (51), 25761-25768, 2006 | 76 | 2006 |
| Helicity and temperature effects on static properties of water molecules confined in modified carbon nanotubes LL Huang, Q Shao, LH Lu, XH Lu, LZ Zhang, J Wang, S Jiang Physical Chemistry Chemical Physics 8 (33), 3836-3844, 2006 | 74 | 2006 |
| Water on titanium dioxide surface: a revisiting by reactive molecular dynamics simulations L Huang, KE Gubbins, L Li, X Lu Langmuir 30 (49), 14832-14840, 2014 | 73 | 2014 |
| Simulation of adsorption and separation of ethanol–water mixture with zeolite and carbon nanotube L Lu, Q Shao, L Huang, X Lu Fluid Phase Equilibria 261 (1-2), 191-198, 2007 | 66 | 2007 |
| Melting behavior of water in cylindrical pores: carbon nanotubes and silica glasses M Sliwinska-Bartkowiak, M Jazdzewska, LL Huang, KE Gubbins Physical Chemistry Chemical Physics 10 (32), 4909-4919, 2008 | 64 | 2008 |
| EOR solvent-oil interaction in clay-hosted pores: Insights from molecular dynamics simulations H Xiong, D Devegowda, L Huang Fuel 249, 233-251, 2019 | 61 | 2019 |
| Molecular dynamics study on diameter effect in structure of ethanol molecules confined in single-walled carbon nanotubes Q Shao, L Huang, J Zhou, L Lu, L Zhang, X Lu, S Jiang, KE Gubbins, ... The Journal of Physical Chemistry C 111 (43), 15677-15685, 2007 | 58 | 2007 |
| Water Bridges in Clay Nanopores: Mechanisms of Formation and Impact on Hydrocarbon Transport H Xiong, D Devegowda, L Huang Langmuir 36 (3), 723-733, 2020 | 55 | 2020 |
| ReaxFF molecular dynamics simulation of thermal stability of a Cu 3 (BTC) 2 metal–organic framework L Huang, KL Joshi, ACT van Duin, TJ Bandosz, KE Gubbins Physical Chemistry Chemical Physics 14 (32), 11327-11332, 2012 | 55 | 2012 |
| Reactive adsorption of ammonia and ammonia/water on CuBTC metal-organic framework: A ReaxFF molecular dynamics simulation L Huang, T Bandosz, KL Joshi, ACT Van Duin, KE Gubbins The Journal of chemical physics 138 (3), 2013 | 44 | 2013 |
| Novel ice structures in carbon nanopores: pressure enhancement effect of confinement M Jazdzewska, MM Śliwinska-Bartkowiak, AI Beskrovnyy, SG Vasilovskiy, ... Physical Chemistry Chemical Physics 13 (19), 9008-9013, 2011 | 40 | 2011 |
| Liquid–Solid Nanofriction and Interfacial Wetting R An, L Huang, Y Long, B Kalanyan, X Lu, KE Gubbins Langmuir 32 (3), 743-750, 2016 | 38 | 2016 |
| Bovine Serum Albumin Adsorption in Mesoporous Titanium Dioxide: Pore Size and Pore Chemistry Effect C Liu, Y Guo, Q Hong, C Rao, H Zhang, Y Dong, L Huang, X Lu, N Bao Langmuir 32 (16), 3995-4003, 2016 | 37 | 2016 |
| Water in Narrow Carbon Nanotubes: Roughness Promoted Diffusion Transition W Cao, L Huang, M Ma, L Lu, X Lu The Journal of Physical Chemistry C 122 (33), 19124-19132, 2018 | 33 | 2018 |
| Effect of confinement in nano-porous materials on the solubility of a supercritical gas Y Hu, L Huang, S Zhao, H Liu, KE Gubbins Molecular Physics 114 (22), 3294-3306, 2016 | 33 | 2016 |
| Controllable atomistic graphene oxide model and its application in hydrogen sulfide removal L Huang, M Seredych, TJ Bandosz, ACT Van Duin, X Lu, KE Gubbins The Journal of Chemical Physics 139 (19), 2013 | 32 | 2013 |
| A mini-review on the modeling of volatile organic compound adsorption in activated carbons: Equilibrium, dynamics, and heat effects S Wang, L Huang, Y Zhang, L Li, X Lu Chinese Journal of Chemical Engineering 31, 153-163, 2021 | 31 | 2021 |
Keith GubbinsProfessor of Chemical & Biomolecular Engineering, North Carolina State UniversityVerified email at ncsu.edu
