Packing of adsorbed molecules in microporous polymorphs aluminium methylphosphonates alpha and beta

C  Schumacher; J  Gonzalez; P A  Wright; N A  Seaton

doi:10.1039/b501685a

Packing of adsorbed molecules in microporous polymorphs aluminium methylphosphonates alpha and beta

C Schumacher, J Gonzalez, P A Wright, N A Seaton

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Abstract

The adsorption of N-2 and CO2 in the microporous aluminium methylphosphonate polymorphs alpha and beta is investigated by adsorption experiments in combination with Monte Carlo (MC) simulations. We find that close steric matching of N-2 and polymorph a causes a packing transition not observed for the other pairs of adsorbate and adsorbent. This strong effect on adsorption behaviour of small differences in the adsorbent structure and adsorbent - adsorbate interactions suggests that microporous, hybrid inorganic - organic materials of this type offer opportunities for highly selective adsorptive separations. The realism of the MC simulations is extraordinarily dependent upon the molecular size parameters used.

Original language	English
Pages (from-to)	2351-2356
Number of pages	6
Journal	Physical Chemistry Chemical Physics
Volume	7
Issue number	11
DOIs	https://doi.org/10.1039/b501685a
Publication status	Published - 2005

Keywords

CARBON-DIOXIDE
ADSORPTION
SIMULATION
DYNAMICS
NITROGEN
ALKANES

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10.1039/b501685a

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abstract = "The adsorption of N-2 and CO2 in the microporous aluminium methylphosphonate polymorphs alpha and beta is investigated by adsorption experiments in combination with Monte Carlo (MC) simulations. We find that close steric matching of N-2 and polymorph a causes a packing transition not observed for the other pairs of adsorbate and adsorbent. This strong effect on adsorption behaviour of small differences in the adsorbent structure and adsorbent - adsorbate interactions suggests that microporous, hybrid inorganic - organic materials of this type offer opportunities for highly selective adsorptive separations. The realism of the MC simulations is extraordinarily dependent upon the molecular size parameters used.",

keywords = "CARBON-DIOXIDE, ADSORPTION, SIMULATION, DYNAMICS, NITROGEN, ALKANES",

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year = "2005",

doi = "10.1039/b501685a",

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pages = "2351--2356",

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T1 - Packing of adsorbed molecules in microporous polymorphs aluminium methylphosphonates alpha and beta

AU - Schumacher, C

AU - Gonzalez, J

AU - Wright, P A

AU - Seaton, N A

PY - 2005

Y1 - 2005

N2 - The adsorption of N-2 and CO2 in the microporous aluminium methylphosphonate polymorphs alpha and beta is investigated by adsorption experiments in combination with Monte Carlo (MC) simulations. We find that close steric matching of N-2 and polymorph a causes a packing transition not observed for the other pairs of adsorbate and adsorbent. This strong effect on adsorption behaviour of small differences in the adsorbent structure and adsorbent - adsorbate interactions suggests that microporous, hybrid inorganic - organic materials of this type offer opportunities for highly selective adsorptive separations. The realism of the MC simulations is extraordinarily dependent upon the molecular size parameters used.

AB - The adsorption of N-2 and CO2 in the microporous aluminium methylphosphonate polymorphs alpha and beta is investigated by adsorption experiments in combination with Monte Carlo (MC) simulations. We find that close steric matching of N-2 and polymorph a causes a packing transition not observed for the other pairs of adsorbate and adsorbent. This strong effect on adsorption behaviour of small differences in the adsorbent structure and adsorbent - adsorbate interactions suggests that microporous, hybrid inorganic - organic materials of this type offer opportunities for highly selective adsorptive separations. The realism of the MC simulations is extraordinarily dependent upon the molecular size parameters used.

KW - CARBON-DIOXIDE

KW - ADSORPTION

KW - SIMULATION

KW - DYNAMICS

KW - NITROGEN

KW - ALKANES

UR - http://www.scopus.com/inward/record.url?scp=20744452042&partnerID=8YFLogxK

U2 - 10.1039/b501685a

DO - 10.1039/b501685a

M3 - Article

SN - 1463-9076

VL - 7

SP - 2351

EP - 2356

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 11

ER -

Packing of adsorbed molecules in microporous polymorphs aluminium methylphosphonates alpha and beta

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Keywords

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