Design and Construction of a Flame-retardant Materials Database Integrating Structural Performance and Real Combustion Data

Ran Wang; Teng Fu; Ya-jie Yang; Xiu-li Wang; Yu-zhong Wang

doi:10.11777/j.issn1000-3304.2024.24243

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Design and Construction of a Flame-retardant Materials Database Integrating Structural Performance and Real Combustion Data

Research Article | 更新时间：2025-02-27

- Design and Construction of a Flame-retardant Materials Database Integrating Structural Performance and Real Combustion Data
- Acta Polymerica Sinica Vol. 56, Issue 3, Pages: 420-430(2025)
- 作者机构：
  
  环境与火安全高分子材料省部共建协同创新中心环保型高分子材料国家地方联合工程实验室高分子材料工程国家重点实验室四川大学化学学院成都 610064
- 作者简介：
  
  Teng Fu, E-mail: Futeng@scu.edu.cn
  Yu-Zhong Wang, E-mail: yzwang@scu.edu.cn
- 基金信息：
- DOI：10.11777/j.issn1000-3304.2024.24243
  CLC：
- CSTR：32057.14.GFZXB.2024.7319
- Received：21 September 2024，
  
  Accepted：2024-10-19，
  
  Published Online：10 January 2025，
  
  Published：20 March 2025
- 稿件说明：
移动端阅览
王然, 付腾, 杨雅捷, 汪秀丽, 王玉忠. 集成结构性能与真实燃烧信息的阻燃材料数据库设计构建. 高分子学报, 2025, 56(3), 420-430

Wang, R.; Fu, T.; Yang, Y. J.; Wang, X. L.; Wang, Y. Z. Design and construction of a flame-retardant materials database integrating structural performance and real combustion data. Acta Polymerica Sinica, 2025, 56(3), 420-430
王然, 付腾, 杨雅捷, 汪秀丽, 王玉忠. 集成结构性能与真实燃烧信息的阻燃材料数据库设计构建. 高分子学报, 2025, 56(3), 420-430 DOI： 10.11777/j.issn1000-3304.2024.24243. CSTR： 32057.14.GFZXB.2024.7319.

Wang, R.; Fu, T.; Yang, Y. J.; Wang, X. L.; Wang, Y. Z. Design and construction of a flame-retardant materials database integrating structural performance and real combustion data. Acta Polymerica Sinica, 2025, 56(3), 420-430 DOI： 10.11777/j.issn1000-3304.2024.24243. CSTR： 32057.14.GFZXB.2024.7319.

摘要

随着材料基因工程的发展，大数据与人工智能相结合的研究工具日渐成为材料科学发展的新范式. 然而，该研究工具在预测有机高分子材料的阻燃性能时效果差. 究其原因，与有机高分子材料固有性质主要由其自身结构决定不同，阻燃性不仅与材料的自身结构密切相关，还受到复杂的燃烧过程的显著影响. 鉴于此，本工作提出了一种适宜于阻燃材料研究的数据库构建策略，利用数据库管理工具和虚拟燃烧器，提取聚合物结构、性能和燃烧过程数据，构建了一套基于Web界面的阻燃高分子材料数据库. 该数据库不仅包含常规高分子材料数据库的材料名称、化学结构、热物性能、燃烧性能、数据源等信息，更含有聚合物真实燃烧过程中产生的热解/燃烧产物数据. 该数据库为基于数据驱动的阻燃材料研发新范式提供了统一标准的、可检索的、可溯源的阻燃数据标准，为建立高质量阻燃数据集提供了基础.

Abstract

With the development of materials genome engineering

research tools that integrate big data and artificial intelligence have become a new paradigm in materials science. However

these tools have shown limited effectiveness in predicting the flame-retardant properties of organic polymers. The main reason is that

unlike the intrinsic properties of organic polymers

which are determined solely by their molecular structure

flame retardancy is not only highly correlated with the material's structure but is also strongly influenced by the complex combustion process. To address this challenge

we propose a database construction strategy specifically designed for flame-retardant material research. Using database management tools and a virtual combustion generator

we extracted data on polymer structures

properties

and combustion processes and developed a web-based flame-retardant polymer database. This database includes not only conventional polymer information such as material names

chemical structures

thermophysical properties

flame-retardant performance

and data sources

but also data on pyrolysis/combustion products generated during real combustion processes. The database provides a unified

searchable

and traceable standard for flame-retardant data

laying the foundation for a data-driven research paradigm in flame-retardant material development and the creation of a high-quality flame-retardant dataset.

关键词

Keywords

references

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