DOI: 10.1016/j.jcou.2017.07.013
Scopus记录号: 2-s2.0-85026835739
论文题名: Computational simulation study of the influence of faujasite Si/Al ratio on CO2 capture by temperature swing adsorption
作者: Prats H. ; Bahamon D. ; Giménez X. ; Gamallo P. ; Sayós R.
刊名: Journal of CO2 Utilization
ISSN: 22129820
出版年: 2017
卷: 21 起始页码: 261
结束页码: 269
语种: 英语
英文关键词: CO2 capture
; Faujasite
; GCMC
; TSA
; Zeolites
Scopus关键词: Adsorption
; Carbon dioxide
; Intelligent systems
; Monte Carlo methods
; Specific heat
; Temperature distribution
; Zeolites
; CO2 capture
; Computational simulation
; Faujasites
; GCMC
; Grand canonical Monte Carlo simulation
; Temperature swing adsorption
; Temperature-swing adsorption process
; Vacuum and pressure swing adsorptions
; Aluminum
英文摘要: Grand Canonical Monte-Carlo simulations are used to assess ten faujasite structures, the well-known family of zeolites with different Al content in post-combustion CO2 capture via Temperature Swing Adsorption (TSA) processes, at 313-473 K and 100 kPa. Selectivity, regenerability, purity, isosteric heat and working capacity values, for each structure, have been calculated from simulations, providing a rather complete evaluation of adsorbents' performance. Additionally, for all the structures the temperature dependence of the heat capacity has been modeled to estimate the thermal regeneration energy. Calculated heat capacities range from 0.78-0.86 kJ/kg K at 313 K to 0.98-1.15 kJ/kg K at 473 K, values considerably lower than those corresponding to aqueous amine solutions. Comparison of TSA results with previous Vacuum and Pressure Swing Adsorption (VSA and PSA) ones shows that there is no structure that works well for all three processes. Instead, each process reaches optimum conditions for certain range of Al content. Results indicate that high Al content faujasites, 64-to-96-FAU, are the most effective for TSA with working capacities above 1.7 mol/kg, doubling PSA/VSA values. Intermediate Al content 48-,64-FAU perform better at VSA conditions and low Al content 12-,24-FAU structures are more suitable for PSA processes. At moderate operative conditions (i.e., regeneration temperature of 413 K), TSA shows the highest purities (above 99% for one-stage process), followed by VSA and PSA. Finally, TSA is more effective in cleaning faujasites with 48 or more Al, compared to PSA/VSA, leading to a higher regenerability (energetic cost index range between 2.3 and 2.4 GJ/tCO2). © 2017 Elsevier Ltd. Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/52636
Appears in Collections: 影响、适应和脆弱性
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Recommended Citation:
Prats H.,Bahamon D.,Giménez X.,et al. Computational simulation study of the influence of faujasite Si/Al ratio on CO2 capture by temperature swing adsorption[J]. Journal of CO2 Utilization,2017-01-01,21