Citation: GUO Yu-Ting, GAO Na, SHI Rui-Xin, QI Miao, WANG Jian-Zhong. Rational Synthetic Parameter Analysis of Open-framework AlPOs Based on Data Mining Method[J]. Chinese Journal of Inorganic Chemistry, ;2016, 32(3): 457-463. doi: 10.11862/CJIC.2016.075 shu

Rational Synthetic Parameter Analysis of Open-framework AlPOs Based on Data Mining Method

GUO Yu-Ting ¹ ,
GAO Na ² ,
SHI Rui-Xin ³ ,
QI Miao ¹ ,
WANG Jian-Zhong ^1,*,,

1.
School of Computer Science and Information Technology, Northeast Normal University, Changchun 130117, China
2.
College of Chemistry, Jilin University, Changchun 130012, China
3.
School and Hospital of Stomatology, Jilin University, Changchun 130012, China

Corresponding author: WANG Jian-Zhong, wangjz019@nenu.edu.cn
Received Date: 11 November 2015
Revised Date: 23 December 2015

Figures(1)

Open-framework aluminophosphates (AlPOs) is an important family of the porous crystal materials. However, the synthesis of the Open-framework aluminophosphates is affected by many parameters, such as reaction material, gel composition, solvent, template agent, crystallization temperature and crystallization time etc. Based on the ALPOs synthesis database, which established by the State Key Laboratory of Inorganic Synthesis and Preparative Chemistry of Jilin University, the work in this paper concentrates on analyzing the relationship between the synthetic parameters and the final product. In order to take both the importance and correlation of the features into consideration in the synthetic parameter analysis, we apply Maximum Weight and Minimum Redundancy (MWMR) to analyze the impact of solvent parameters and template parameters for the rational synthesis of (8, 6)-ring-containing AlPOs. The effectiveness of the method is demonstrated by extensive experiments. Furthermore, we also make some deep analyses about the relationship between the synthetic parameters and final products.The experimental results show that the geometric parameters of the of organic template, the n_C/n_N and the dipole moment of the solvent etc. may impact most for the final product of this kind of open-framework aluminophosphates.
- open-framework aluminophosphates,
- synthetic parameter,
- data mining,
- feature selection
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沈阳化工大学材料科学与工程学院沈阳 110142