Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F11%3A00361669" target="_blank" >RIV/61388955:_____/11:00361669 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1039/C1CP20943D" target="_blank" >http://dx.doi.org/10.1039/C1CP20943D</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/C1CP20943D" target="_blank" >10.1039/C1CP20943D</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity

Popis výsledku v původním jazyce

Siliceous SBA-15 mesoporous molecular sieves were functionalized with different amounts of 3-aminopropyl-trimethoxysilane. To obtain a more detailed insight into the material properties of the prepared samples, their textural parameters were combined with results of thermal analysis. Adsorption isotherms of carbon dioxide on parent and functionalized SBA-15 were measured in the temperature range from 273 to 333 K. From the temperature dependence of CO2 isotherms the isosteric adsorption heats of CO2 were determined and discussed. Information about the surface energetic heterogeneity caused by tethered 3-aminopropyl groups were obtained from CO2 adsorption energy distributions calculated using the theoretical CO2 adsorption isotherms derived from the non-local density functional theory. The values of isosteric heats and the energy distributions of CO2 adsorption detect highly energetic sites and enabled quantification of their concentrations.

Název v anglickém jazyce

Thermodynamics of CO2 adsorption on functionalized SBA-15 silica. NLDFT analysis of surface energetic heterogeneity

Popis výsledku anglicky

Siliceous SBA-15 mesoporous molecular sieves were functionalized with different amounts of 3-aminopropyl-trimethoxysilane. To obtain a more detailed insight into the material properties of the prepared samples, their textural parameters were combined with results of thermal analysis. Adsorption isotherms of carbon dioxide on parent and functionalized SBA-15 were measured in the temperature range from 273 to 333 K. From the temperature dependence of CO2 isotherms the isosteric adsorption heats of CO2 were determined and discussed. Information about the surface energetic heterogeneity caused by tethered 3-aminopropyl groups were obtained from CO2 adsorption energy distributions calculated using the theoretical CO2 adsorption isotherms derived from the non-local density functional theory. The values of isosteric heats and the energy distributions of CO2 adsorption detect highly energetic sites and enabled quantification of their concentrations.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/GA203%2F08%2F0604" target="_blank" >GA203/08/0604: Pokročilé materiály na bázi molekulových sít pro adsorpci a uchovávání CO2 a H2</a><br>

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

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Svazek periodika

13

Číslo periodika v rámci svazku

34

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

15468-15475

Kód UT WoS článku

000293900400012

EID výsledku v databázi Scopus

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