Applicability of using CO2 adsorption isotherms to determine BET surface areas of microporous materials

Ki Chul Kim, Tae Ung Yoon, Youn Sang Bae

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

While nitrogen and argon isotherms at their respective boiling points are commonly used for the BET analysis of porous materials, CO2 isotherms at 273 K have been suggested as an alternative option for materials containing very small pores in which nitrogen and argon molecules cannot access at cryogenic temperatures. However, it has been known that the BET surface areas obtained from CO2 isotherms are not really meaningful in an absolute sense due to the strong CO2-CO2 interaction. In this study, CO2 isotherms in metal-organic frameworks (MOFs) and zeolites were predicted by grand canonical Monte Carlo (GCMC) simulations and used to evaluate the BET analysis for these materials. For all the microporous materials with varied pore sizes, the BET surface areas calculated from the simulated CO2 isotherms agreed roughly with their geometric surface areas from the crystal structures. Moreover, a clear selection of a proper BET linear region was possible for the material possessing only ultra-micropores. These results indicate that the BET surface areas determined from CO2 isotherms at 273 K may be considered reasonable for adsorbents containing only ultra-micropores where the BET surface areas based on N2 or Ar isotherms at cryogenic temperatures are not available.

Original languageEnglish
Pages (from-to)294-301
Number of pages8
JournalMicroporous and Mesoporous Materials
Volume224
DOIs
Publication statusPublished - 2016 Apr 1

Fingerprint

Microporous materials
Adsorption isotherms
Isotherms
isotherms
adsorption
Argon
cryogenic temperature
Cryogenics
Nitrogen
argon
porosity
Zeolites
nitrogen
Boiling point
porous materials
adsorbents
zeolites
boiling
Adsorbents
Pore size

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials

Cite this

@article{c2f54a6765c64679af1416562e2277b7,
title = "Applicability of using CO2 adsorption isotherms to determine BET surface areas of microporous materials",
abstract = "While nitrogen and argon isotherms at their respective boiling points are commonly used for the BET analysis of porous materials, CO2 isotherms at 273 K have been suggested as an alternative option for materials containing very small pores in which nitrogen and argon molecules cannot access at cryogenic temperatures. However, it has been known that the BET surface areas obtained from CO2 isotherms are not really meaningful in an absolute sense due to the strong CO2-CO2 interaction. In this study, CO2 isotherms in metal-organic frameworks (MOFs) and zeolites were predicted by grand canonical Monte Carlo (GCMC) simulations and used to evaluate the BET analysis for these materials. For all the microporous materials with varied pore sizes, the BET surface areas calculated from the simulated CO2 isotherms agreed roughly with their geometric surface areas from the crystal structures. Moreover, a clear selection of a proper BET linear region was possible for the material possessing only ultra-micropores. These results indicate that the BET surface areas determined from CO2 isotherms at 273 K may be considered reasonable for adsorbents containing only ultra-micropores where the BET surface areas based on N2 or Ar isotherms at cryogenic temperatures are not available.",
author = "Kim, {Ki Chul} and Yoon, {Tae Ung} and Bae, {Youn Sang}",
year = "2016",
month = "4",
day = "1",
doi = "10.1016/j.micromeso.2016.01.003",
language = "English",
volume = "224",
pages = "294--301",
journal = "Microporous and Mesoporous Materials",
issn = "1387-1811",
publisher = "Elsevier",

}

Applicability of using CO2 adsorption isotherms to determine BET surface areas of microporous materials. / Kim, Ki Chul; Yoon, Tae Ung; Bae, Youn Sang.

In: Microporous and Mesoporous Materials, Vol. 224, 01.04.2016, p. 294-301.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Applicability of using CO2 adsorption isotherms to determine BET surface areas of microporous materials

AU - Kim, Ki Chul

AU - Yoon, Tae Ung

AU - Bae, Youn Sang

PY - 2016/4/1

Y1 - 2016/4/1

N2 - While nitrogen and argon isotherms at their respective boiling points are commonly used for the BET analysis of porous materials, CO2 isotherms at 273 K have been suggested as an alternative option for materials containing very small pores in which nitrogen and argon molecules cannot access at cryogenic temperatures. However, it has been known that the BET surface areas obtained from CO2 isotherms are not really meaningful in an absolute sense due to the strong CO2-CO2 interaction. In this study, CO2 isotherms in metal-organic frameworks (MOFs) and zeolites were predicted by grand canonical Monte Carlo (GCMC) simulations and used to evaluate the BET analysis for these materials. For all the microporous materials with varied pore sizes, the BET surface areas calculated from the simulated CO2 isotherms agreed roughly with their geometric surface areas from the crystal structures. Moreover, a clear selection of a proper BET linear region was possible for the material possessing only ultra-micropores. These results indicate that the BET surface areas determined from CO2 isotherms at 273 K may be considered reasonable for adsorbents containing only ultra-micropores where the BET surface areas based on N2 or Ar isotherms at cryogenic temperatures are not available.

AB - While nitrogen and argon isotherms at their respective boiling points are commonly used for the BET analysis of porous materials, CO2 isotherms at 273 K have been suggested as an alternative option for materials containing very small pores in which nitrogen and argon molecules cannot access at cryogenic temperatures. However, it has been known that the BET surface areas obtained from CO2 isotherms are not really meaningful in an absolute sense due to the strong CO2-CO2 interaction. In this study, CO2 isotherms in metal-organic frameworks (MOFs) and zeolites were predicted by grand canonical Monte Carlo (GCMC) simulations and used to evaluate the BET analysis for these materials. For all the microporous materials with varied pore sizes, the BET surface areas calculated from the simulated CO2 isotherms agreed roughly with their geometric surface areas from the crystal structures. Moreover, a clear selection of a proper BET linear region was possible for the material possessing only ultra-micropores. These results indicate that the BET surface areas determined from CO2 isotherms at 273 K may be considered reasonable for adsorbents containing only ultra-micropores where the BET surface areas based on N2 or Ar isotherms at cryogenic temperatures are not available.

UR - http://www.scopus.com/inward/record.url?scp=84955561117&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84955561117&partnerID=8YFLogxK

U2 - 10.1016/j.micromeso.2016.01.003

DO - 10.1016/j.micromeso.2016.01.003

M3 - Article

AN - SCOPUS:84955561117

VL - 224

SP - 294

EP - 301

JO - Microporous and Mesoporous Materials

JF - Microporous and Mesoporous Materials

SN - 1387-1811

ER -