Characterization of micro-mesoporous materials from nitrogen and toluene adsorption: Experiment and modeling

Peter I. Ravikovitch; Aleksey Vishnyakov; Alexander V. Neimark; Manuela M.L. Ribeiro Carrott; Patrícia A. Russo; Peter J. Carrott

doi:10.1021/la052202k

Characterization of micro-mesoporous materials from nitrogen and toluene adsorption: Experiment and modeling

Peter I. Ravikovitch, Aleksey Vishnyakov, Alexander V. Neimark, Manuela M.L. Ribeiro Carrott, Patrícia A. Russo, Peter J. Carrott

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

71 Scopus citations

Abstract

Universal mechanisms of adsorption and capillary condensation of toluene and nitrogen on ordered MCM-41 and PHTS materials are studied by means of high-resolution experiments and Monte Carlo molecular simulations. A molecular simulation model of toluene adsorption in silica nanopores, which accounts for surface heterogeneity, and a hybrid molecular-macsroscopic method for pore size distribution (PSD) calculations have been developed. For a range of reference materials, the PSD results obtained from toluene isotherms are consistent with the results of nitrogen adsorption using the nonlocal density functional theory method.

Original language	English (US)
Pages (from-to)	513-516
Number of pages	4
Journal	Langmuir
Volume	22
Issue number	2
DOIs	https://doi.org/10.1021/la052202k
State	Published - Jan 17 2006
Externally published	Yes

All Science Journal Classification (ASJC) codes

Materials Science(all)
Condensed Matter Physics
Surfaces and Interfaces
Spectroscopy
Electrochemistry

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10.1021/la052202k

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abstract = "Universal mechanisms of adsorption and capillary condensation of toluene and nitrogen on ordered MCM-41 and PHTS materials are studied by means of high-resolution experiments and Monte Carlo molecular simulations. A molecular simulation model of toluene adsorption in silica nanopores, which accounts for surface heterogeneity, and a hybrid molecular-macsroscopic method for pore size distribution (PSD) calculations have been developed. For a range of reference materials, the PSD results obtained from toluene isotherms are consistent with the results of nitrogen adsorption using the nonlocal density functional theory method.",

author = "Ravikovitch, {Peter I.} and Aleksey Vishnyakov and Neimark, {Alexander V.} and {Ribeiro Carrott}, {Manuela M.L.} and Russo, {Patr{\'i}cia A.} and Carrott, {Peter J.}",

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doi = "10.1021/la052202k",

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T1 - Characterization of micro-mesoporous materials from nitrogen and toluene adsorption

T2 - Experiment and modeling

AU - Ravikovitch, Peter I.

AU - Vishnyakov, Aleksey

AU - Neimark, Alexander V.

AU - Ribeiro Carrott, Manuela M.L.

AU - Russo, Patrícia A.

AU - Carrott, Peter J.

PY - 2006/1/17

Y1 - 2006/1/17

N2 - Universal mechanisms of adsorption and capillary condensation of toluene and nitrogen on ordered MCM-41 and PHTS materials are studied by means of high-resolution experiments and Monte Carlo molecular simulations. A molecular simulation model of toluene adsorption in silica nanopores, which accounts for surface heterogeneity, and a hybrid molecular-macsroscopic method for pore size distribution (PSD) calculations have been developed. For a range of reference materials, the PSD results obtained from toluene isotherms are consistent with the results of nitrogen adsorption using the nonlocal density functional theory method.

AB - Universal mechanisms of adsorption and capillary condensation of toluene and nitrogen on ordered MCM-41 and PHTS materials are studied by means of high-resolution experiments and Monte Carlo molecular simulations. A molecular simulation model of toluene adsorption in silica nanopores, which accounts for surface heterogeneity, and a hybrid molecular-macsroscopic method for pore size distribution (PSD) calculations have been developed. For a range of reference materials, the PSD results obtained from toluene isotherms are consistent with the results of nitrogen adsorption using the nonlocal density functional theory method.

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JO - Langmuir

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Characterization of micro-mesoporous materials from nitrogen and toluene adsorption: Experiment and modeling

Abstract

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