Introduction and application of zeobank: synthesis and structure databases of zeolites and related materials
The synthesis and structure databases of zeolites and related open-framework materials (denoted as Zeobank) have been established, which includes synthesis database, aluminophosphate (AlPO) structure database and hypothetical zeolite structure database. One of the data mining techniques, the decision tree method has been used to investigate the potential relationship between various reaction factors and the resulting structure features, such as secondary building units (SBUs) and largest ring numbers. The rules obtained by data mining greatly enhance the researchers’ ability for the rational synthesis of target materials with specified structures. Zeobank will serve as a useful guidance in aiding the rational design and synthesis of zeolitic materials.
Jiyang Li Jihong Yu Jigui Sun Xuchu Dong Yi Li Zhuopeng Wang Shaoxia Wang Ruren Xu
State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College ofChemistry, Jilin Un Department of Computer Science and Techology, Jilin University, Changchun 130012 State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin U
国际会议
北京
英文
2007-08-12（万方平台首次上网日期，不代表论文的发表时间）