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Molecular simulation study of the competitive adsorption of H₂O and CO₂ in zeolite 13X

(2013) LANGMUIR. 29(51). p.15936-15942
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Abstract
The presence of H2O in postcombustion gas streams is an important technical issue for deploying CO2-selective adsorbents. Because of its permanent dipole, H2O can interact strongly with materials where the selectivity for CO2 is a consequence of its quadrupole interacting with charges in the material. We performed molecular simulations to model the adsorption of pure H2O and CO2 as well as H2O/CO2 mixtures in 13X, a popular zeolite for CO2 capture processes that is commercially available. The simulations show that H2O reduces the capacity of these materials for adsorbing CO2 by an order of magnitude and that at the partial pressures of H2O relevant for postcombustion capture, 13X will be essentially saturated with H2O
Keywords
PRESSURE-SWING ADSORPTION, CARBON-DIOXIDE CAPTURE, DYNAMICS SIMULATION, WATER-ADSORPTION, FAUJASITE, NAY, TECHNOLOGIES, EQUILIBRIUM, HYDRATION, SYSTEMS

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MLA
Joos, Lennart, Joseph A Swisher, and Berend Smit. “Molecular Simulation Study of the Competitive Adsorption of H₂O and CO₂ in Zeolite 13X.” LANGMUIR 29.51 (2013): 15936–15942. Print.
APA
Joos, L., Swisher, J. A., & Smit, B. (2013). Molecular simulation study of the competitive adsorption of H₂O and CO₂ in zeolite 13X. LANGMUIR, 29(51), 15936–15942.
Chicago author-date
Joos, Lennart, Joseph A Swisher, and Berend Smit. 2013. “Molecular Simulation Study of the Competitive Adsorption of H₂O and CO₂ in Zeolite 13X.” Langmuir 29 (51): 15936–15942.
Chicago author-date (all authors)
Joos, Lennart, Joseph A Swisher, and Berend Smit. 2013. “Molecular Simulation Study of the Competitive Adsorption of H₂O and CO₂ in Zeolite 13X.” Langmuir 29 (51): 15936–15942.
Vancouver
1.
Joos L, Swisher JA, Smit B. Molecular simulation study of the competitive adsorption of H₂O and CO₂ in zeolite 13X. LANGMUIR. 2013;29(51):15936–42.
IEEE
[1]
L. Joos, J. A. Swisher, and B. Smit, “Molecular simulation study of the competitive adsorption of H₂O and CO₂ in zeolite 13X,” LANGMUIR, vol. 29, no. 51, pp. 15936–15942, 2013.
@article{4246845,
  abstract     = {The presence of H2O in postcombustion gas streams is an important technical issue for deploying CO2-selective adsorbents. Because of its permanent dipole, H2O can interact strongly with materials where the selectivity for CO2 is a consequence of its quadrupole interacting with charges in the material. We performed molecular simulations to model the adsorption of pure H2O and CO2 as well as H2O/CO2 mixtures in 13X, a popular zeolite for CO2 capture processes that is commercially available. The simulations show that H2O reduces the capacity of these materials for adsorbing CO2 by an order of magnitude and that at the partial pressures of H2O relevant for postcombustion capture, 13X will be essentially saturated with H2O},
  author       = {Joos, Lennart and Swisher, Joseph A and Smit, Berend},
  issn         = {0743-7463},
  journal      = {LANGMUIR},
  keywords     = {PRESSURE-SWING ADSORPTION,CARBON-DIOXIDE CAPTURE,DYNAMICS SIMULATION,WATER-ADSORPTION,FAUJASITE,NAY,TECHNOLOGIES,EQUILIBRIUM,HYDRATION,SYSTEMS},
  language     = {eng},
  number       = {51},
  pages        = {15936--15942},
  title        = {Molecular simulation study of the competitive adsorption of H₂O and CO₂ in zeolite 13X},
  url          = {http://dx.doi.org/10.1021/la403824g},
  volume       = {29},
  year         = {2013},
}

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