Strategies for high throughput, templated zeolite synthesis

被引：9

作者：

Chen, LG ^{[1
]}

Deem, MW ^{[1
]}

机构：

[1] Univ Calif Los Angeles, Dept Chem Engn, Los Angeles, CA 90095 USA

来源：

MOLECULAR PHYSICS | 2002年 / 100卷 / 13期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1080/00268970110118222

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 design and redesign of high throughput experiments for zeolite synthesis are addressed. A model that relates materials function to the chemical composition of the zeolite and the structure directing agent is introduced. Using this model, several Monte Carlo-like design protocols are evaluated. Multi-round protocols are bound to be effective, and strategies that use a priori information about the structure-directing libraries are found to be the best.

引用

页码：2175 / 2181

页数：7

共 13 条

[1] A hierarchical approach to protein molecular evolution [J].

Bogarad, LD ;

Deem, MW .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1999, 96 (06) :2591-2595

[2] INTERMEDIATES AND BARRIER CROSSING IN A RANDOM ENERGY-MODEL (WITH APPLICATIONS TO PROTEIN FOLDING) [J].

BRYNGELSON, JD ;

WOLYNES, PG .

JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (19) :6902-6915

[3] MECHANISMS OF STRUCTURE DIRECTION IN THE SYNTHESIS OF PURE-SILICA ZEOLITES .1. SYNTHESIS OF TPA/SI-ZSM-5 [J].

BURKETT, SL ;

DAVIS, ME .

CHEMISTRY OF MATERIALS, 1995, 7 (05) :920-928

[4] MECHANISM OF STRUCTURE DIRECTION IN THE SYNTHESIS OF PURE-SILICA ZEOLITES .2. HYDROPHOBIC HYDRATION AND STRUCTURAL SPECIFICITY [J].

BURKETT, SL ;

DAVIS, ME .

CHEMISTRY OF MATERIALS, 1995, 7 (08) :1453-1463

[5] Monte carlo methods for small molecule high-throughput experimentation [J].

Chen, LG ;

Deem, MW .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2001, 41 (04) :950-957

[6]

Davis ME, 1997, CHEM IND-SER, V69, P1

[7]

DEEM MW, 2001, ADV CHEM ENG, V28, P81

[8] A biased Monte Carlo scheme for zeolite structure solution [J].

Falcioni, M ;

Deem, MW .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (03) :1754-1766

[9] Library design in combinatorial chemistry by Monte Carlo methods [J].

Falcioni, M ;

Deem, MW .

PHYSICAL REVIEW E, 2000, 61 (05) :5948-5952

[10]

GEYER CJ, 1991, COMPUTING SCIENCE AND STATISTICS, P156

← 1 2 →