Simulation of Binary CO2/CH4Mixture Breakthrough Profiles in MIL-53 (Al)
نویسندگان
چکیده
منابع مشابه
Adsorption of CO2 on MIL-53(Al): FTIR evidence of the formation of dimeric CO2 species.
FTIR spectra of (12)CO2 and (12)CO2 + (13)CO2 mixtures adsorbed on MIL-53(Al) reveal the formation of highly symmetric dimeric (CO2)2 species connected to two structural OH groups.
متن کاملThe Behavior of Flexible MIL-53(Al) upon CH4 and CO2 Adsorption
Anne Boutin,† François-Xavier Coudert,‡ Marie-Anne Springuel-Huet,§ Alexander V. Neimark,‡,| Gérard Férey,⊥ and Alain H. Fuchs*,‡ Chemistry Department, École Normale Supérieure, CNRS and UniV. Pierre et Marie Curie, 24 rue Lhomond, 75231 Paris cedex 05, France, CNRS, Chimie ParisTech and UniV. Pierre et Marie Curie, 11 rue Pierre et Marie Curie, 75005 Paris, France, Laboratoire de Chimie de la ...
متن کاملTuning functional sites and thermal stability of mixed-linker MOFs based on MIL-53(Al).
The MIXMOF concept has been applied to the metal-organic framework compound MIL-53(Al). The random incorporation of two different linker molecules (benzene-1,4-dicarboxylate and 2-aminobenzene-1,4-dicarboxylate) in the framework structure and its influence on thermal stability were proven using several complementary techniques (XRD, ATR-IR, MAS-NMR and TG).
متن کاملSize-controlled silver nanoparticles stabilized on thiol-functionalized MIL-53(Al) frameworks.
A postsynthetic modification method was used to prepare thiol-functionalized metal-organic frameworks (MOFs) by the amidation of mercaptoacetic acid with the amine group, which is present in the frameworks of NH2-MIL-53(Al). By doing this, the thiol group has been successfully grafted on the MOF, which perfectly combined the highly developed pore structures of the MOF with the strong coordinati...
متن کاملAb Initio Parametrized Force Field for the Flexible Metal-Organic Framework MIL-53(Al).
A force field is proposed for the flexible metal-organic framework MIL-53(Al), which is calibrated using density functional theory calculations on nonperiodic clusters. The force field has three main contributions: an electrostatic term based on atomic charges derived with a modified Hirshfeld-I method, a van der Waals (vdW) term with parameters taken from the MM3 model, and a valence force fie...
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ژورنال
عنوان ژورنال: Journal of Nanomaterials
سال: 2015
ISSN: 1687-4110,1687-4129
DOI: 10.1155/2015/439382