A computational chemistry insight in the role of structure directing agents in the synthesis of zeolites

被引：19

作者：

Sastre, German ^{[1
]}

机构：

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

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2007年 / 9卷 / 09期

关键词：

SOLID-STATE NMR; 5-COORDINATE SILICON; PREFERENTIAL LOCATION; GERMANIUM LOCATION; PHASE SELECTIVITY; MOLECULAR-SIEVE; FLUORIDE; FRAMEWORKS; STABILITY; PORES;

D O I：

10.1039/b615035g

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 structure directing agents in the synthesis of zeolites has been studied through atomistic simulation techniques. Three different kinds of structure directing agents have been reviewed: (i) isomorphic heteroatom Si -> Al and Si -> Ge substitutions; (ii) F- anions; and (iii) organic SDAs. The interplay between these structure directing agents is described and the separate effects of each one have been found from energy calculations and analysis of energetic terms.

引用

页码：1052 / 1058

页数：7

共 76 条

[1] RELATIVE STABILITY OF ZEOLITE FRAMEWORKS FROM CALCULATED ENERGETICS OF KNOWN AND THEORETICAL STRUCTURES [J].

AKPORIAYE, DE ;

PRICE, GD .

ZEOLITES, 1989, 9 (04) :321-328

[2] True structure of trigonal bipyramidal SiO4F- species in siliceous zeolites [J].

Attfield, MP ;

Catlow, CRA ;

Sokol, AA .

CHEMISTRY OF MATERIALS, 2001, 13 (12) :4708-4713

[3] New insights into zeolite formation from molecular modeling [J].

Auerbach, SM ;

Ford, MH ;

Monson, PA .

CURRENT OPINION IN COLLOID & INTERFACE SCIENCE, 2005, 10 (5-6) :220-225

[4]

Baerlocher C., 2001, ATLAS ZEOLITE FRAMEW, V5th, P398

[5] On the shape selective acylation of 2-methoxynaphthalene over polymorph C of Beta (ITQ-17) [J].

Botella, P ;

Corma, A ;

Navarro, MT ;

Rey, F ;

Sastre, G .

JOURNAL OF CATALYSIS, 2003, 217 (02) :406-416

[6] The chemistry of phase selectivity in the synthesis of high-silica zeolites [J].

Burton, AW ;

Zones, SI ;

Elomari, S .

CURRENT OPINION IN COLLOID & INTERFACE SCIENCE, 2005, 10 (5-6) :211-219

[7] Phase selectivity in the syntheses of cage-based zeolite structures: An investigation of thermodynamic interactions between zeolite hosts and structure directing agents by molecular modeling [J].

Burton, AW ;

Lee, GS ;

Zones, SI .

MICROPOROUS AND MESOPOROUS MATERIALS, 2006, 90 (1-3) :129-144

[8] Synthesis of all-silica and high-silica molecular sieves in fluoride media [J].

Camblor, MA ;

Villaescusa, LA ;

Díaz-Cabañas, MJ .

TOPICS IN CATALYSIS, 1999, 9 (1-2) :59-76

[9] Synthesis of a new zeolite structure ITQ-24, with intersecting 10-and 12-membered ring pores [J].

Castañeda, R ;

Corma, A ;

Fornés, V ;

Rey, F ;

Rius, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2003, 125 (26) :7820-7821

[10] COMPUTER MODELING AS A TECHNIQUE IN MATERIALS CHEMISTRY [J].

CATLOW, CRA ;

BELL, RG ;

GALE, JD .

JOURNAL OF MATERIALS CHEMISTRY, 1994, 4 (06) :781-792

← 1 2 3 4 5 6 7 8 →