The monoclinic framework structure of zeolite H-ZSM-5. Comparison with the orthorhombic framework of as-synthesized ZSM-5

Koningsveld, H. van; Jansen, J.C.; Bekkum, H. van

doi:10.1016/0144-2449(94)90134-1

Cited by 496 publications

(298 citation statements)

References 4 publications

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“…2. The ranges and averaged (9) 0(5) 0.1099 (1) 0.0531 (2) -0.2889 (2) 0.0210 (7) 0(6) 0.2380 ( 1 ) 0.0472 (2) -0.2602 (2) 0.039 ( 1 ) 0(7) 0.3669 (7) 0.5812 (7) 0.14 (2) C(4) -0.0202 (5) 0.3287 (6) 0.5196 (7) 0.11 (l) C (5) 0.0270 (5) 0.2993 (7) 0.4571 (7) 0.082 (7) C(6) 0.0333 (5) 0.2295 (7) 0.4563 (7) 0.108 (9) values of d(Si--O) and/(Si--O--Si) in H-ZSM-5/2.56 pdcb (2.6PDCB; this report) are comparable to those in other MFI-type structures such as as-synthesized ZSM-5 containing the tetrapropylammonium ion as a template (TPAORT; , the orthorhombic phase of calcined (empty) H-ZSM-5 at 358K (HTORT; van Koningsveld, 1990), monoclinic calcined H-ZSM-5 at room temperature (MONO; van Koningsveld, Jansen & van Bekkum, 1990) and the high-loaded H-ZSM-5/8p-xylene complex (PARA; van Koningsveld et al, 1989). The O--Si--O angle varies between 107.7 and 111.1 ° and averages 109.47 ° in each SiO 4 group.…”

Section: Together With the Simulated Values (S) In An Isolated Pdcb Msupporting

confidence: 61%

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Single-crystal structure analysis and energy minimizations of a MFI-type zeolite at low p-dichlorobenzene sorbate loading

Koningsveld¹,

Jansen²,

Man³

1996

Acta Crystallogr Sect B

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Section: Together With the Simulated Values (S) In An Isolated Pdcb Msupporting

confidence: 61%

“…See Table 1 for full experimental details. The initial positions of the framework atoms were taken from the literature (van Koningsveld, 1990). All T atoms (St, A1) were treated as zero-valent St. Anisotropic refinement on F in Pnma converged to R(wR) = 0.063 (0.119), with w = 1/o.2(F).…”

Section: Methodsmentioning

confidence: 99%

Single-crystal structure analysis and energy minimizations of a MFI-type zeolite at low p-dichlorobenzene sorbate loading

Koningsveld¹,

Jansen²,

Man³

1996

Acta Crystallogr Sect B

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“…1 gives valuable insight into the sizes of pore diameters in ZSM-5 and of plausible guests. The framework and free diameters of the channels in ZSM-5 are reported to be ~0.83 nm and ~0.56 nm [25], which are greater than van-der-Waals atomic diameters of S, Se, and Te, which are 0.37, 0.40, and 0.44 nm, respectively [28]. This implies that, all the single atoms and dimmers of the chalcogens can penetrate into the channel.…”

Section: Resultsmentioning

confidence: 90%

“…We here try to impregnate chalcogens (S, Se, Te) into ZSM-5, a kind of MFI zeolites [24][25][26]. ZSM-5 contains two kinds of channels (see , Fig.…”

Section: Figmentioning

confidence: 99%

Optical properties of chalcogen-loaded zeolite (ZSM-5)

Saitoh

Tanaka

2009

Solid State Communications

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Sulfur, selenium, and tellurium were loaded into sub-mm size ZSM-5 single crystals and the optical properties have been comparatively studied. S and Te show similar features, while Se is unique. S and Te have optical absorption edges at wavelengths of ~400 nm with transmission dips at ~450 nm, while Se has the edge at ~550 nm. The three materials provide photoluminescence at visible wavelengths, with intensities of S and Te being stronger than that of Se by two orders. These optical properties imply that S and Te in the zeolite form small atomic units such as S 3 and Te 2 , while Se condenses into single-chain structures.

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“…Refs. [7][8][9][10]. This approach would be certainly impractical when there is a substantial degree of disorder.…”

Section: Introductionmentioning

confidence: 99%

Reverse Monte Carlo modeling in confined systems

Sánchez-Gil

Noya

Lomba

2014

The Journal of Chemical Physics

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An extension of the well established Reverse Monte Carlo (RMC) method for modeling systems under close confinement has been developed. The method overcomes limitations induced by close confinement in systems such as fluids adsorbed in microporous materials. As a test of the method, we investigate a model system of 36 Ar adsorbed into two zeolites with significantly different pore sizes: Silicalite-I (a pure silica form of ZSM-5 zeolite, characterized by relatively narrow channels forming a 3D network) at partial and full loadings and siliceous Faujasite (which exhibits relatively wide channels and large cavities). The model systems are simulated using Grand Canonical Monte Carlo and, in each case, its structure factor is used as input for the proposed method, which shows a rapid convergence and yields an adsorbate microscopic structure in good agreement with that of the model system, even to the level of three body correlations, when these are induced by the confining media. The application to experimental systems is straightforward incorporating factors such as the experimental resolution and appropriate q-sampling, along the lines of previous experiences of RMC modeling of powder diffraction data including Bragg and diffuse scattering.

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The monoclinic framework structure of zeolite H-ZSM-5. Comparison with the orthorhombic framework of as-synthesized ZSM-5

Cited by 496 publications

References 4 publications

Single-crystal structure analysis and energy minimizations of a MFI-type zeolite at low p-dichlorobenzene sorbate loading

Single-crystal structure analysis and energy minimizations of a MFI-type zeolite at low p-dichlorobenzene sorbate loading

Optical properties of chalcogen-loaded zeolite (ZSM-5)

Reverse Monte Carlo modeling in confined systems

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