A computational study on the templating ability of the trispyrrolidinium cation in the synthesis of ZSM-18 zeolite

被引：49

作者：

Sabater, MJ ^{[1
]}

Sastre, G ^{[1
]}

机构：

[1] Univ Politecn Valencia, CSIC, Inst Tecnol Quim, Valencia 46022, Spain

来源：

CHEMISTRY OF MATERIALS | 2001年 / 13卷 / 12期

关键词：

D O I：

10.1021/cm0110526

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The role of trispyrrolidinium cation as the structure-directing ag ent of the ZSM-18 zeolite structure is explained by a close matching between the template and the zeolite walls. Two template orientations are proposed, and their respective structure-directing abilities are discussed in terms of template-zeolite energetic interactions. The relation of the template orientation and the Al distribution of the ZSM-18 structure is explained, and the preferential substitution of Al in the three-membered rings of ZSM-18 is explained from the results of the calculations, in accordance with the XRD solution of the structure.

引用

页码：4520 / 4526

页数：7

共 48 条

[31]

Lowenstein W., 1954, AM MINERAL, V39, P92

[32]

Meier W.M., 1996, ATLAS ZEOLITE STRUCT, V4th

[33]

OIE T, 1981, INT J QUANTUM CHEM Q, V8, P1

[34] THERMOCHEMICAL STUDY OF THE STABILITY OF FRAMEWORKS IN HIGH-SILICA ZEOLITES [J].

PETROVIC, I ;

NAVROTSKY, A ;

DAVIS, ME ;

ZONES, SI .

CHEMISTRY OF MATERIALS, 1993, 5 (12) :1805-1813

[35] INTERATOMIC POTENTIALS FOR SIO2 [J].

SANDERS, MJ ;

LESLIE, M ;

CATLOW, CRA .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1984, (19) :1271-1273

[36] Structure and stability of silica species in SAPO molecular sieves [J].

Sastre, G ;

Lewis, DW ;

Catlow, CRA .

JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (16) :6722-6730

[37] The role of the electrostatic potential, electric field and electric field gradient on the acidity of AFI and CHA zeotypes [J].

Sastre, G ;

Lewis, DW ;

Corma, A .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2000, 2 (01) :177-185

[38] TOWARD THE RATIONAL DESIGN OF ZEOLITE SYNTHESIS - THE SYNTHESIS OF ZEOLITE ZSM-18 [J].

SCHMITT, KD ;

KENNEDY, GJ .

ZEOLITES, 1994, 14 (08) :635-642

[39]

Shantz D. F., 2000, STUD SURF SCI CATAL, V130, P845

[40] Multiple-quantum 1H MAS NMR studies of defect sites in as-made all-silica ZSM-12 zeolite [J].

Shantz, DF ;

Günne, JSAD ;

Koller, H ;

Lobo, RF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (28) :6659-6663

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