DOI: 10.1016/j.jcou.2017.03.007
Scopus记录号: 2-s2.0-85015956045
论文题名: Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
作者: Prats H. ; Bahamon D. ; Alonso G. ; Giménez X. ; Gamallo P. ; Sayós R.
刊名: Journal of CO2 Utilization
ISSN: 22129820
出版年: 2017
卷: 19 起始页码: 100
结束页码: 111
语种: 英语
英文关键词: CO2 capture
; Molecular simulation
; Sequestration
; Swing adsorption process
; Zeolite
Scopus关键词: Adsorption
; Aluminum
; Monte Carlo methods
; Structural optimization
; Zeolites
; Faujasite structure
; Grand canonical Monte Carlo simulation
; Molecular simulations
; Pressure swing adsorption
; Realistic evaluations
; Sequestration
; Swing adsorption
; Vacuum swing adsorptions
; Carbon dioxide
英文摘要: Grand Canonical Monte-Carlo (GCMC) simulations are used in this work, to assess optimum faujasite structures, the well-known family of zeolites, in CO2 capture processes. Pressure Swing Adsorption (PSA) and Vacuum Swing Adsorption (VSA) procedures have been considered to evaluate purity, working capacity and breakthrough time. To this purpose, ten faujasite structures with different Al content were selected, and the best conditions for CO2 capture maximization have been calculated for each structure. Further results show that zeolites having intermediate Al content are the most effective for VSA processes, whereas low Al content faujasites perform better at PSA conditions. Remarkably, present work best results clearly improve Faujasite 13X VSA-PSA performances, so far considered the industrial reference in absence of water. Moreover, combined VPSA processes, in terms of working capacity and adiabatic work required for compression/expansion, have also been studied, showing that VPSA systems are more efficient than pure PSA/VSA, for structures with intermediate Al content. Finally, an improved methodology has been derived, where GCMC mixture isotherms and energetic cost calculations are combined, and a more accurate way of estimating working capacities and breakthrough times is proposed. This new approach allows more realistic evaluations of adsorbents' performances, than those found in the literature based on pure adsorption data. © 2017 Elsevier Ltd. All rights reserved. Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/52738
Appears in Collections: 影响、适应和脆弱性
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Recommended Citation:
Prats H.,Bahamon D.,Alonso G.,et al. Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes[J]. Journal of CO2 Utilization,2017-01-01,19