CO2 Adsorption Sites in UTSA-16: Multitechnique Approach
نویسندگان
چکیده
منابع مشابه
New insights into UTSA-16.
Among the metal organic framework materials proposed for CO2 separation, UTSA-16 possesses the highest CO2 volumetric density explained on the basis of favourable interactions between CO2 and structural water molecules in the material, as revealed by neutron diffraction. In this study, UTSA-16 was synthesised and extensively characterised by XRD, TEM combined with EDX analysis and DR-UV-Vis, Ra...
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Using van der Waals-corrected density functional theory and a local chemical bond analysis, we study and explain trends in the binding between CO2 and open-metal coordination sites within a series of two metal-organic frameworks (MOFs), BTT, and MOF-74 for Ca, Mg, and nine divalent transition-metal cations. We find that Ti and V result in the largest CO2 binding energies and show that for these...
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Saving the environment to save the Earth and to make the future of mankind safe is the need of the hour. Over the past several decades, the exponential population and social civilization change, affluent lifestyles and resources use, and continuing progress of the industrial and technologies has been accompanied by a sharp modernization and metropolitan growth. The world is reaching new horizon...
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Anthropogenic emissions have increased the CO2 concentration on the atmosphere with over 30% compared to pre-industrialize levels [1]. Most of these anthropogenic emissions are caused by fossil fuel utilization, where around one-third is due to electricity generation from fossil fuel combustion, mainly from coal-fired units. Furthermore, fossil fuel electricity generation units rank as the firs...
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Highly porous carbons have been prepared by the chemical activation of two mesoporous carbons obtained by using hexagonal- (SBA-15) and cubic (KIT-6)-ordered mesostructured silica as hard templates. These materials were investigated as sorbents for CO(2) capture. The activation process was carried out with KOH at different temperatures in the 600-800°C range. Textural characterization of these ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2016
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.6b03333