Calculations of pore size distributions in nanoporous materials from adsorption and desorption isotherms

Peter I. Ravikovitch; Alexander V. Neimark

doi:https://doi.org/10.1016/s0167-2991(00)80262-1

Calculations of pore size distributions in nanoporous materials from adsorption and desorption isotherms

Peter I. Ravikovitch, Alexander V. Neimark

Research output: Contribution to journal › Article › peer-review

48 Scopus citations

Abstract

The recently developed density functional theory method for pore size distribution analysis from nitrogen adsorption and desorption isotherms is extended to materials with pores ranging from 2 to 100 nm. The method is based on the nonlocal density functional theory (NLDFT) of capillary condensation hysteresis in cylindrical pores. It is shown that NLDFT correctly predicts both the adsorption and desorption branches of the hysteretic isotherms in materials with cylindrical pores wider than ca. 5 nm. For pores larger than ca. 6 nm, the NLDFT results agree well with the thermodynamic theory of Derjaguin-Broekhoff-de Boer. When pore-blocking (networking) effects are insignificant, both branches of the experimental isotherm produce identical pore size distributions. The NLDFT method is validated against literature data on capillary condensation in MCM-41 type materials with pores from 5 to 10 nm.

Original language	English (US)
Pages (from-to)	597-606
Number of pages	10
Journal	Studies in Surface Science and Catalysis
Volume	129
DOIs	https://doi.org/10.1016/s0167-2991(00)80262-1
State	Published - 2000
Externally published	Yes

ASJC Scopus subject areas

Catalysis
Condensed Matter Physics
Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

Access to Document

https://doi.org/10.1016/s0167-2991(00)80262-1

Cite this

@article{bace446edb884e1b8eb08ef48f0c5b97,

title = "Calculations of pore size distributions in nanoporous materials from adsorption and desorption isotherms",

abstract = "The recently developed density functional theory method for pore size distribution analysis from nitrogen adsorption and desorption isotherms is extended to materials with pores ranging from 2 to 100 nm. The method is based on the nonlocal density functional theory (NLDFT) of capillary condensation hysteresis in cylindrical pores. It is shown that NLDFT correctly predicts both the adsorption and desorption branches of the hysteretic isotherms in materials with cylindrical pores wider than ca. 5 nm. For pores larger than ca. 6 nm, the NLDFT results agree well with the thermodynamic theory of Derjaguin-Broekhoff-de Boer. When pore-blocking (networking) effects are insignificant, both branches of the experimental isotherm produce identical pore size distributions. The NLDFT method is validated against literature data on capillary condensation in MCM-41 type materials with pores from 5 to 10 nm.",

author = "Ravikovitch, {Peter I.} and Neimark, {Alexander V.}",

note = "Funding Information: This work is supported by the EPA grant R825959-010, TRI/Princeton exploratory research program, and Quantachrome Corporation.",

year = "2000",

doi = "https://doi.org/10.1016/s0167-2991(00)80262-1",

language = "English (US)",

volume = "129",

pages = "597--606",

journal = "Studies in Surface Science and Catalysis",

issn = "0167-2991",

publisher = "Elsevier BV",

}

TY - JOUR

T1 - Calculations of pore size distributions in nanoporous materials from adsorption and desorption isotherms

AU - Ravikovitch, Peter I.

AU - Neimark, Alexander V.

N1 - Funding Information: This work is supported by the EPA grant R825959-010, TRI/Princeton exploratory research program, and Quantachrome Corporation.

PY - 2000

Y1 - 2000

N2 - The recently developed density functional theory method for pore size distribution analysis from nitrogen adsorption and desorption isotherms is extended to materials with pores ranging from 2 to 100 nm. The method is based on the nonlocal density functional theory (NLDFT) of capillary condensation hysteresis in cylindrical pores. It is shown that NLDFT correctly predicts both the adsorption and desorption branches of the hysteretic isotherms in materials with cylindrical pores wider than ca. 5 nm. For pores larger than ca. 6 nm, the NLDFT results agree well with the thermodynamic theory of Derjaguin-Broekhoff-de Boer. When pore-blocking (networking) effects are insignificant, both branches of the experimental isotherm produce identical pore size distributions. The NLDFT method is validated against literature data on capillary condensation in MCM-41 type materials with pores from 5 to 10 nm.

AB - The recently developed density functional theory method for pore size distribution analysis from nitrogen adsorption and desorption isotherms is extended to materials with pores ranging from 2 to 100 nm. The method is based on the nonlocal density functional theory (NLDFT) of capillary condensation hysteresis in cylindrical pores. It is shown that NLDFT correctly predicts both the adsorption and desorption branches of the hysteretic isotherms in materials with cylindrical pores wider than ca. 5 nm. For pores larger than ca. 6 nm, the NLDFT results agree well with the thermodynamic theory of Derjaguin-Broekhoff-de Boer. When pore-blocking (networking) effects are insignificant, both branches of the experimental isotherm produce identical pore size distributions. The NLDFT method is validated against literature data on capillary condensation in MCM-41 type materials with pores from 5 to 10 nm.

UR - http://www.scopus.com/inward/record.url?scp=0034590263&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0034590263&partnerID=8YFLogxK

U2 - https://doi.org/10.1016/s0167-2991(00)80262-1

DO - https://doi.org/10.1016/s0167-2991(00)80262-1

M3 - Article

VL - 129

SP - 597

EP - 606

JO - Studies in Surface Science and Catalysis

JF - Studies in Surface Science and Catalysis

SN - 0167-2991

ER -

Calculations of pore size distributions in nanoporous materials from adsorption and desorption isotherms

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this