New methods for CO2 capture and separation applicable to industrial processes

Authors

  • Gerard Alonso Institut de Química Teòrica i Computacional de la Universitat de Barcelona (IQTCUB)
  • Hèctor Prats Universitat de Barcelona. Departament de Ciència de Materials i Química Física
  • Daniel Bahamón Universitat de Barcelona. Departament de Ciència de Materials i Química Física
  • Fatemeh Keshavarz Universitat de Barcelona. Departament de Ciència de Materials i Química Física
  • Pablo Gamallo Universitat de Barcelona. Departament de Ciència de Materials i Química Física
  • Xavier Giménez Universitat de Barcelona. Departament de Ciència de Materials i Química Física
  • Ramón Sayós Universitat de Barcelona. Departament de Ciència de Materials i Química Física

Keywords:

CO2, gas separation, faujasite, MOF, post-combustion.

Abstract

Carbon dioxide capture and separation are essential processes, with a clear purpose in an industrialized world: the reduction of CO2 atmospheric emissions to minimize environmental effects. In this article we focus on faujasite and Cu–BTC, which are highly porous adsorbent materials. By means of grand canonical Monte Carlo simulations we will obtain the adsorption isotherms of pure CO2 and a post-combustion mixture (15 % CO2 and 85 % N2) in both materials. In both gas flows Cu–BTC shows the largest loading of CO2, while in the post-combustion mixture the faujasite with a Si/Al ratio of 1.18 presents the higher selectivity towards CO2.


Keywords: CO2, gas separation, faujasite, MOF, post-combustion.

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Issue

No. 15 (2016)

Section

Articles

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