Recent Advances in Computational Studies of Zeolites

Titiloye, James O.; Tschaufeser, Petra; Parker, Stephen C.

doi:10.1007/978-94-015-7989-6_6

Cited by 3 publications

(4 citation statements)

References 71 publications

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“…about 10−16 kJ mol -1 for the unspecific interaction with the framework, about 14−18 kJ mol -1 for the interaction with the sodium ions, and about 16−25 kJ mol -1 for the interaction with the Si−OH−Al groups. Theoretical calculations for Si−OH−Al groups show energy differences of 11 (ref ), and 20 kJ mol -1 , respectively. For other microporous solids similar differences between water and methanol adsorption have been found too, e.g., silicalite (experimental, 30 kJ mol -1 ; theoretical, 18−21 kJ mol -1 ) and molecular sieve VPI-5 (14 kJ mol -1 ) .…”

Section: Resultsmentioning

confidence: 99%

Adsorption of Methanol on ZSM-5 Zeolites

et al. 1997

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The interaction of methanol with a NaZSM-5 and a HZSM-5 zeolite was investigated by means of temperature-programmed desorption (TPD) and adsorption measurements. For both zeolites the desorption curves are structured, indicating different adsorption sites. In the case of HZSM-5 the desorption at higher temperatures is accompanied with a partial conversion of methanol. It was investigated how the course of the reaction depends on the initial adsorbed amount of methanol. Using a regularization method, desorption energy distribution functions have been calculated. The energy range of these distributions correlates well with the heats of adsorption in the literature. The desorption energy distributions between 50 and 65 kJ mol -1 , which can be attributed to a nonspecific interaction, reflect the formation of stronger hydrogen bonds in the methanol clusters at higher loading on HZSM-5 than on NaZSM-5. The shape of the desorption energy distribution of NaZSM-5 in the range 65-100 kJ mol -1 , specific for the interaction of methanol with Na + cations, shows two clearly distinguished maxima, indicating two kinds of Na + cations. The obtained results for the HZSM-5 zeolite reflect the energetic heterogeneity of the bridging Si-OH-Al groups. Both, the shape and wideness of adsorption energy distributions extracted from measured adsorption isotherms agree well with the determined desorption energy distributions.

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Section: Resultsmentioning

confidence: 99%

Adsorption of Methanol on ZSM-5 Zeolites

et al. 1997

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“…In order to exclude that residual acids of the acid washed zeolite could have catalyzed the glycosidation reaction, the 4 Å aw MS were washed several times with distillated water before their use and the efficiency of the reaction was not affected. [9,18] ( Figure 3). Moreover we also report on several examples of recently published works performed by tuning the acid-base properties of the zeolite catalysts.…”

Section: Glycosidation Reaction Via Activation Of Glycosyl Trichloro-mentioning

confidence: 99%

“…Other zeolites taken under consideration in this review (for them catalytic properties) are Zeolite X (FAU-type structure, Si/Al ratio usually 1.2), Zeolite Y (FAU-type structure, Si/Al ratio usually 2.4), Zeolite ZSM-5 (MFI-type structure, Si/Al ratio usually 15), and Natrolite (Na2[Al2Si3O10]⸱2H2O) [9,18] ( Figure 3).…”

Section: Introductionmentioning

confidence: 99%

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Zeolites as Acid/Basic Solid Catalysts: Recent Synthetic Developments

2019

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The zeolites are porous solid structures characterized by a particular framework of aluminosilicates, in which the incorporation of the Al+3 ions generates an excess of negative charge compensated by cations (usually alkali or alkali earth) or protons. In the latter case, they are employed as catalysts for a wide variety of reactions, such as dehydration, skeletal isomerization and cracking, while the catalytic activity of basic zeolites has not found, up to now, any industrial or whatever relevant application in chemical processes. In the present review, we firstly intend to give an overview of the fundamental chemical composition, as well as the structural features of the zeolite framework. The purpose of this paper is to analyze their key properties as acid, both Lewis and Brønsted, and basic solid support. Their application as catalysts is discussed by reviewing the already published works in that field, and a final remark of their still unexplored potential as green, mild, and selective catalyst is also reported.

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Equilibrium and structural properties of gas molecules adsorbed in zeolite A

Suh

Kim

1996

Korean J. Chem. Eng.

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Recent Advances in Computational Studies of Zeolites

Cited by 3 publications

References 71 publications

Adsorption of Methanol on ZSM-5 Zeolites

Adsorption of Methanol on ZSM-5 Zeolites

Zeolites as Acid/Basic Solid Catalysts: Recent Synthetic Developments

Equilibrium and structural properties of gas molecules adsorbed in zeolite A

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