Methane adsorption in ADOR zeolites: a combined experimental and DFT/CC study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F17%3A39911948" target="_blank" >RIV/00216275:25310/17:39911948 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/17:00477446 RIV/61388963:_____/17:00477446
Result on the web
<a href="http://dx.doi.org/10.1039/c7cp02315d" target="_blank" >http://dx.doi.org/10.1039/c7cp02315d</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c7cp02315d" target="_blank" >10.1039/c7cp02315d</a>
Alternative languages
Result language
angličtina
Original language name
Methane adsorption in ADOR zeolites: a combined experimental and DFT/CC study
Original language description
Physical adsorption of methane in purely siliceous molecular sieves prepared by a recently discovered synthetic pathway using 2D zeolites as nanoscale building blocks has been investigated by means of combined experimental and theoretical approaches. The DFT/CC-based method has been tested on ADOR zeolites of the UTL family and a few experimentally well-characterized siliceous zeolites. Excellent agreement between theoretical and experimental heats of adsorption has been found for OKO, PCR, MFI, CHA and AEI zeolites. The observed discrepancy for the UTL germanosilicate (2 kJ mol(-1)) has been plausibly explained using a simple model of D4R defects. The proposed methodology can be used as a reliable characterization tool for newly synthesized silica nanomaterials.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Volume of the periodical
19
Issue of the periodical within the volume
25
Country of publishing house
GB - UNITED KINGDOM
Number of pages
8
Pages from-to
16533-16540
UT code for WoS article
000404530600026
EID of the result in the Scopus database
2-s2.0-85021981835