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Xuan Peng
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CNT@Cu3(BTC)2 and Metal–Organic Frameworks for Separation of CO2/CH4 Mixture
Z Xiang, X Peng, X Cheng, X Li, D Cao
The Journal of Physical Chemistry C 115 (40), 19864-19871, 2011
1722011
Computational screening of porous metal‐organic frameworks and zeolites for the removal of SO2 and NOx from flue gases
W Sun, LC Lin, X Peng, B Smit
AIChE Journal 60 (6), 2314-2323, 2014
1462014
Adsorption separation of CH4/CO2 on mesocarbon microbeads: Experiment and modeling
X Peng, W Wang, R Xue, Z Shen
AIChE Journal 52 (3), 994-1003, 2006
1172006
Adsorption of CO2, CH4, CO2/N2 and CO2/CH4 in novel activated carbon beads: Preparation, measurements and simulation
X Shao, Z Feng, R Xue, C Ma, W Wang, X Peng, D Cao
AIChE journal 57 (11), 3042-3051, 2011
1072011
Computational screening of porous carbons, zeolites, and metal organic frameworks for desulfurization and decarburization of biogas, natural gas, and flue gas
X Peng, D Cao
AIChE Journal 59 (8), 2928-2942, 2013
972013
Computer simulations for the adsorption and separation of CO 2/CH 4/H 2/N 2 gases by UMCM-1 and UMCM-2 metal organic frameworks
X Peng, X Cheng, D Cao
Journal of Materials Chemistry 21 (30), 11259-11270, 2011
932011
Carbon dioxide capture by PAFs and an efficient strategy to fast screen porous materials for gas separation
Z Yang, X Peng, D Cao
The Journal of Physical Chemistry C 117 (16), 8353-8364, 2013
692013
Capture of trace sulfur gases from binary mixtures by single-walled carbon nanotube arrays: a molecular simulation study
W Wang, X Peng, D Cao
Environmental science & technology 45 (11), 4832-4838, 2011
672011
Computer simulation for storage of methane and capture of carbon dioxide in carbon nanoscrolls by expansion of interlayer spacing
X Peng, J Zhou, W Wang, D Cao
Carbon 48 (13), 3760-3768, 2010
612010
Adsorption and separation of CH4/CO2/N2/H2/CO mixtures in hexagonally ordered carbon nanopipes CMK-5
X Peng, D Cao, W Wang
Chemical Engineering Science 66 (10), 2266-2276, 2011
532011
Adsorption and diffusion of benzene in Mg-MOF-74 with open metal sites
A Liu, X Peng, Q Jin, SK Jain, JM Vicent-Luna, S Calero, D Zhao
ACS applied materials & interfaces 11 (4), 4686-4700, 2019
512019
Adsorption of carbon dioxide of 1-site and 3-site models in pillared clays: A Gibbs ensemble Monte Carlo simulation
X Peng, J Zhao, D Cao
Journal of colloid and interface science 310 (2), 391-401, 2007
502007
Water adsorption in metal–organic frameworks with open‐metal sites
X Peng, LC Lin, W Sun, B Smit
AIChE Journal 61 (2), 677-687, 2015
492015
Heterogeneity characterization of ordered mesoporous carbon adsorbent CMK-1 for methane and hydrogen storage: GCMC simulation and comparison with experiment
X Peng, D Cao, W Wang
The Journal of Physical Chemistry C 112 (33), 13024-13036, 2008
452008
Computational Study on Purification of CO2 from Natural Gas by C60 Intercalated Graphite
X Peng, D Cao, W Wang
Industrial & engineering chemistry research 49 (18), 8787-8796, 2010
372010
Adsorption and Separation of N2/CH4/CO2/SO2 Gases in Disordered Carbons Obtained Using Hybrid Reverse Monte Carlo Simulations
X Peng, SK Jain, JK Singh
The Journal of Physical Chemistry C 121 (25), 13457-13473, 2017
352017
Adsorption and separation of Xe in metal–organic frameworks and covalent–organic materials
Q Wang, H Wang, S Peng, X Peng, D Cao
The Journal of Physical Chemistry C 118 (19), 10221-10229, 2014
312014
Grand canonical Monte Carlo simulation of methane–carbon dioxide mixtures on ordered mesoporous carbon CMK-1
X Peng, D Cao, J Zhao
Separation and purification technology 68 (1), 50-60, 2009
282009
Computational Characterization of Hexagonally Ordered Carbon Nanopipes CMK-5 and Structural Optimization for H2 Storage
X Peng, D Cao, W Wang
Langmuir 25 (18), 10863-10872, 2009
272009
Monte Carlo simulation for chemical reaction equilibrium of ammonia synthesis in MCM-41 pores and pillared clays
X Peng, W Wang, S Huang
Fluid phase equilibria 231 (2), 138-149, 2005
252005
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