Synthetic Data Extraction For ZSM-5 Zeolites Based On Text Mining

Zeolite is a kind of aluminosilicate crystals with regular nano-pores,which has been widely used in energy,environment and other important fields as catalysis,adsorption separation and ion exchange materials.Some zeolites can be formed naturally,and most of the other zeolites are discovered by artificial hydrothermalmethods.Among them,ZSM-5 zeolites with important industrial applications were developed by Mobile in 1972 and have been widely used in important catalytic processes,such as the oil refining industry,fine chemicals and environmental protection.The synthesis of zeolites involves many synthesis conditions and factors,such as the composition of the reactants,the type and nature of the source of the reactants,the crystallization temperature and time,p H and so forth.Due to the complexity of the hydrothermal synthesis system of zeolites,the synthesis and crystallization mechanism of zeolites has not yet clear.For a long time,the traditional"trial and error method"have been always used in the synthesis of novel type zeolite,which is extreme blindness and contingency.The establishment of an advanced zeolites synthesis information database is essential to accelerate the research and development of new function-oriented zeolite materials.Database technology has been rapidly developed in the fields of material chemistry during recent years.The relationship between synthesis rules and structure-activity is established through sorting and analyzing the known datas,which can significantly accelerate the research and development of new materials in related fields.However,there is no real synthetic information database in the zeolite field.Based on this,the ZSM-5 zeolites synthesis system is taken as the research object of this thesis.A database construction technology based on text mining combining rule matching with natural language processing technology is developed.The ZSM-5zeolites synthesis database has been built which can automatically extract synthetic data from published literatures.On this basis,the data mining technology is used to study the synthesis rules of ZSM-5 zeolites,which provides theoretical guidance for subsequent experimental research.The first part of this paper is data extraction.We have established a database containing 1764 ZSM-5 zeolites synthesis informations and a reaction raw material corpus containing 211 datas.First,we searched the synthetic literatures of zeolites,and3175 synthetic paragraphs were manually extracted,preprocessed and labeled.Then,a text mining method combineing rule matching and natural language processing was used to automatically extract chemical information,assisted by a custom dictionary,and evaluate the extraction results and optimize the extraction model through four extracting evaluation criteria.Finally,the zeolites synthesis database was established after information filling,manual verification and other steps.The second part of this thesis is data mining.The influences of of ZSM-5 zeolites synthesis parameter range and correlation,crystallization range and synthesis conditions on the product Si/Al ratio were explored.Through the decision tree classification model,it is found that the Si/Al ratio,Na/Si ratio,H₂O/Si ratio and TPAOH/Si ratio of the reaction materials have an important influence on the product Si/Al ratio.io.In this paper,a text mining method combining rule matching and custom natural language processing technology is proposes to quickly and accurately extract synthetic information and automatically build a database,which realizes the unification of a large number of messy ZSM-5 zeolites synthetic information in a strict data format centralized management.The database can not only perform information retrieval,and realize data sharing of synthetic information,which can help researchers to quickly and efficiently obtain synthetic information of zeolites,but also can be used as the original input data for zeolites machine learning.Data mining technology has been used to explore the influence of different factors on the synthesis of zeolites.The relationship between synthesis conditions and product Si/Al ratio was established.The synthesis rules of ZSM-5 zeolite were summarized.The results can be used to provide theoretical guidance for the experimental directional synthesis of ZSM-5 zeolites with a specific Si/Al ratio.