Synthesis of microporous titanosilicate ETS-10 with TiF4 or TiO2

Yang, Xiaobo; Paillaud, Jean‐Louis; Breukelen, H.F.W.J. van; Kessler, H.; Duprey, E.

doi:10.1016/s1387-1811(01)00267-0

Cited by 73 publications

(42 citation statements)

References 35 publications

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“…According to recent DFT work performed at the M06-L/6-31++G(d,p) level of theory and employing the same Na-ETS-10 cluster model used in the present work [21], characteristic Si-O and Ti-O stretching vibrational modes in experimental vibrational results of ETS-10 [22,61,62] are well reproduced by the calculations. Additionally, vibrational frequencies for isolated and for adsorbed CH 4 , H 2 , N 2 , CO 2 and H 2 O species also compared well with available experimental results by correcting the vibrational modes above 1000 cm -1 using a scale factor [63], e.g.…”

Section: Vibrational Frequencies For Gaseous Hydrocarbons In Ets-10supporting

confidence: 73%

A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10

2015

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High demand for economically viable separation processes like adsorptive separation for mixtures of hydrocarbons drives the need for understanding the interaction of hydrocarbons with titanosilicate adsorbents, to replace the energy intensive cryogenic hydrocarbon separation.Density functional theory (DFT) was used to optimize the geometries and calculate the enthalpies for the interactions between paraffins (C 2 H 6 , C 3 H 8 ), olefins (C 2 H 4 , C 3 H 6 ) and acetylenes (C 2 H 2 , C 3 H 4 ) with a cluster model of the Engelhard titanosilicatehaving sodium extra framework cations (Na-ETS-10). The DFT calculations were performed with theM06-L exchange correlation functional and were corrected for the basis set superposition error with the counterpoise method. The calculated enthalpies for the interaction of hydrocarbons with Na-ETS-10 decrease with the decrease in the number of carbon atoms, in the order acetylenes >olefins >paraffins,and compare well with experimental data available in the literature. The enthalpies calculated at the M06-L/6-31++G** level of theory for the two extreme cases, i.e., strongest and weakest interactions, are -62.8 kJ·mol -1 (C 3 H 4 ) and -26.9 kJ·mol -1 (C 2 H 6 ).Additionally, the calculated vibrational frequencies are in good agreement with the characteristic vibrational modes of ETS-10 and of the interactions of hydrocarbons with Na + in the 12-membered channel in ETS-10.

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Section: Vibrational Frequencies For Gaseous Hydrocarbons In Ets-10supporting

confidence: 73%

A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10

2015

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“…A TiO 2 /SiO 2 ratio of 0.095 was selected for this work, which produced good results as established in our precedent report. [12] TiO 2 anatase was used before to synthesize titanosilicate ETS-10, [23,24] and depending on the conditions it was frequently detected by XRD in the final product as an unreacted material. Figure 1 compares the XRD pattern of pure Ti-umbite prepared by using TiCl 3 instead of TiO 2 and without any Na source [25] with those corresponding to spheres produced in 3-96 h, where a strong intensity corresponding to TiO 2 anatase appears.…”

Section: Hierarchical Pore System Spheresmentioning

confidence: 99%

Formation of Micro/Macroporous Hierarchical Spheres of Titanosilicate Umbite

et al. 2008

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Polycrystalline spheres of up to 2 mm diameter of microporous titanosilicate K 2 TiSi 3 O 9 ·H 2 O with umbite structure (Ti-umbite) were prepared without the use of organic structuring agents. The spheres, while preserving the inherent microporosity of the umbite type-material, are organized as hierarchical materials with macropores in the 0.1-1.4-µm size range. Ti-umbite spheres were only produced by hydrothermal synthesis under rotation conditions, at 230°C by using a solution with the following molar composition: 0.284 K 2 O/0.287 Na 2 O/SiO 2 /0.095 TiO 2 (anatase)/30.8 H 2 O, and

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“…For the same purpose, FTIR spectra of the Ru prepared solids are also presented in Transmission electron microscopy images allow visualizing the single crystal nature of individual ETS-10, even of nanometer size crystals [29,30]. In the La(0.4) ETS-10 particle, the well-defined pattern of ETS-10 is clearly seen (Fig.…”

Section: Characterization Of Ru/la(x)ets-10 Catalystsmentioning

confidence: 99%

Influence of La incorporation on the catalytic activity of Ru/ETS-10 catalysts for hydrogen production

Faroldi

Irusta

Cornaglia

2015

Applied Catalysis A: General

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The incorporation of lanthanum on ETS-10 titanosilicate and its influence on the catalytic activity of Ru catalysts for the dry reforming of methane reaction were studied.The catalysts were prepared through ion exchange of ETS-10 using different lanthanum solution concentrations (0.1, 0.2 and 0.4 % wt of La 2 O 3 ). The Ru loading was 0.6 wt.% for all catalysts. The methane reaction rates for Ru/LaETS-10 catalysts showed an increase in comparison with Ru/ETS-10. This could be related to the lanthanum participation in the reaction mechanism. Moreover, all the formulations were stable after 70 h on stream.In order to study the effect of lanthanum exchange in the structure of ETS-10 supports, the solids were characterized by BET, XRD, TEM, FTIR XPS, and Laser Raman spectroscopy.The relative crystallinities were lower than 80%, indicating that the La exchange could have an important effect on the crystalline structure of ETS-10, in agreement with Raman and FTIR results.The surface Ru/Ti ratio determined by XPS was higher in the case of Ru/LaETS-10 synthesized with the highest La concentration in the exchange solution. The Na/Ti ratio, measured by XPS and EDX, was lower for the Ru/LaETS-10 catalysts compared with ETS-10 suggesting that La was exchanged in the structure.

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Synthesis of microporous titanosilicate ETS-10 with TiF4 or TiO2

Cited by 73 publications

References 35 publications

A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10

A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10

Formation of Micro/Macroporous Hierarchical Spheres of Titanosilicate Umbite

Influence of La incorporation on the catalytic activity of Ru/ETS-10 catalysts for hydrogen production

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