CO2 Adsorption Capacity of FAU Zeolites in Presence of H2O: A Monte Carlo Simulation Study

被引:22
作者
Chen, Hongyin [1 ]
Wang, Weilong [1 ]
Ding, Jing [1 ]
Wei, Xiaolan [2 ]
Lu, Jianfeng [1 ]
机构
[1] Sun Yat Sen Univ, Guangzhou 510275, Guangdong, Peoples R China
[2] South China Univ Technol, Guangzhou 510640, Guangdong, Peoples R China
来源
8TH INTERNATIONAL CONFERENCE ON APPLIED ENERGY (ICAE2016) | 2017年 / 105卷
关键词
Monte Carlo simulation; CO2; capture; FAU zeolites; Competitive adsorption; CARBON CAPTURE; N-2;
D O I
10.1016/j.egypro.2017.03.929
中图分类号
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号
0807 ; 0820 ;
摘要
CO2 capture in presence of H2O is an important technical issue when using CO2-selective adsorbents in industrial exhaust gases. The CO2 adsorption of FAU zeolites in presence of H2O was investigated via Monte Carlo simulation regarding adsorption selectivity, competitiveness and capacity. Parameters and method used in the simulation were validated by experimental results. Results show that CO2 adsorption capacity of FAU zeolites is remarkable enhanced when Si/Al ratio decreases from 7 to 3. Competitive adsorption results show that the presence of N2 has little effect on the CO2 adsorption while the presence of H2O reduces the CO2 adsorption capacity of FAU zeolites significantly.
引用
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页数:7
相关论文
共 15 条
[1]   Carbon capture by physical adsorption: Materials, experimental investigations and numerical modeling and simulations - A review [J].
Ben-Mansour, R. ;
Habib, M. A. ;
Bamidele, O. E. ;
Basha, M. ;
Qasem, N. A. A. ;
Peedikakkal, A. ;
Laoui, T. ;
Ali, M. .
APPLIED ENERGY, 2016, 161 :225-255
[2]   Effect of the Confinement and Presence of Cations on Hydrogen Bonding of Water in LTA-Type Zeolite [J].
Calero, S. ;
Gomez-Alvarez, P. .
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 118 (17) :9056-9065
[3]   RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials [J].
Dubbeldam, David ;
Calero, Sofia ;
Ellis, Donald E. ;
Snurr, Randall Q. .
MOLECULAR SIMULATION, 2016, 42 (02) :81-101
[4]   On the inner workings of Monte Carlo codes [J].
Dubbeldam, David ;
Torres-Knoop, Ariana ;
Walton, Krista S. .
MOLECULAR SIMULATION, 2013, 39 (14-15) :1253-1292
[5]   Comparative Study of the Adsorption Equilibrium of CO2 on Microporous Commercial Materials at Low Pressures [J].
Garces, S. I. ;
Villarroel-Rocha, J. ;
Sapag, K. ;
Korili, S. A. ;
Gil, A. .
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2013, 52 (20) :6785-6793
[6]   Molecular Simulation Study of the Competitive Adsorption of H2O and CO2 in Zeolite 13X [J].
Joos, Lennart ;
Swisher, Joseph A. ;
Smit, Berend .
LANGMUIR, 2013, 29 (51) :15936-15942
[7]   CO2 Adsorption-Based Separation by Metal Organic Framework (Cu-BTC) versus Zeolite (13X) [J].
Liang, Zhijian ;
Marshall, Marc ;
Chaffee, Alan L. .
ENERGY & FUELS, 2009, 23 (5-6) :2785-2789
[8]  
MARTINCALVO A, 2014, PHYSICAL CHEMISTRY C, V118, P25460, DOI DOI 10.1021/JP507431C
[9]   Application of a High-Throughput Analyzer in Evaluating Solid Adsorbents for Post-Combustion Carbon Capture via Multicomponent Adsorption of CO2, N2, and H2O [J].
Mason, Jarad A. ;
McDonald, Thomas M. ;
Bae, Tae-Hyun ;
Bachman, Jonathan E. ;
Sumida, Kenji ;
Dutton, Justin J. ;
Kaye, Steven S. ;
Long, Jeffrey R. .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015, 137 (14) :4787-4803
[10]   A REINVESTIGATION OF CRYSTAL STRUCTURE OF ZEOLITE HYDRATED NAX [J].
OLSON, DH .
JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (14) :2758-+