Adsorption of Carbon Dioxide in Non-Löwenstein Zeolites
نویسندگان
چکیده
We investigated the effect of aluminum distribution in adsorption properties carbon dioxide MFI, MOR, and ITW zeolites. Because its lack experimental evidence theoretical validation, Löwenstein’s rule was not generally imposed, special attention paid to Al–O–Al linkages. To this end, we first generalized an existing transferable force field for CO2 non-Löwenstein By means molecular simulations based on field, showed that efficiency MFI is determined by number Al atoms, rather than their framework. This attributed small size molecules compared 3D wide-channel topology structure. Conversely, found has a higher impact heat MOR. Although structures with very high low bonds presented significant differences, themselves do affect directly. Instead, homogeneous atoms sites forming C-channel more favorable. Finally, small-pore zeolite led values wide error bars, which made study feasible just concentrations. In case, report dependency distribution.
منابع مشابه
Advances in principal factors influencing carbon dioxide adsorption on zeolites.
We report the advances in the principal structural and experimental factors that might influence the carbon dioxide (CO2) adsorption on natural and synthetic zeolites. The CO2 adsorption is principally govern by the inclusion of exchangeable cations (countercations) within the cavities of zeolites, which induce basicity and an electric field, two key parameters for CO2 adsorption. More specific...
متن کاملPredicting large CO2 adsorption in aluminosilicate zeolites for postcombustion carbon dioxide capture.
Large-scale simulations of aluminosilicate zeolites were conducted to identify structures that possess large CO(2) uptake for postcombustion carbon dioxide capture. In this study, we discovered that the aluminosilicate zeolite structures with the highest CO(2) uptake values have an idealized silica lattice with a large free volume and a framework topology that maximizes the regions with nearest...
متن کاملInvestigation of Carbon Dioxide Adsorption on Amino-Functionalized Mesoporous Silica
Carbon dioxide (CO2) adsorption on unfunctionalized and amino-functionalized SBA-3 materials are investigated and compared in this study. The synthesized materials are characterized by various techniques such as X-ray diffraction (XRD), Brunauer-Emmet-Teller (BET) method, Fourier transform infrared (FT-IR) and Scanning electron microscopy (SEM).The isotherms of these materials have been measure...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Chemistry of Materials
سال: 2023
ISSN: ['1520-5002', '0897-4756']
DOI: https://doi.org/10.1021/acs.chemmater.3c01258