当前位置: X-MOL 学术Process Saf. Environ. Prot. › 论文详情
A mathematical method for predicting flammability limits of gas mixtures
Process Safety and Environmental Protection ( IF 4.384 ) Pub Date : 2020-02-05 , DOI: 10.1016/j.psep.2020.02.002
Lulu Zhou; Beibei Wang; Juncheng Jiang; Genserik Reniers; Longfei Liu

The relationship between flammability limits (FL) of gas mixtures and their molecular structures was studied in this research based on the quantitative structure-property relationship (QSPR) method. The genetic algorithm (GA) was used to select an optimal subset of descriptors which show a significant contribution to the properties. The external validation, which checking the stability and predictive capability of the obtained models, was focus of this study. Three different external validations were employed to build the models. Moreover, the applicability domain for the models was also defined. The selected descriptors and obtained models were then extended to predict the FL values of existing or new mixtures based only on mixtures composition and their molecular structures.
更新日期:2020-02-06

 

全部期刊列表>>
宅家赢大奖
向世界展示您的会议墙报和演示文稿
全球疫情及响应:BMC Medicine专题征稿
新版X-MOL期刊搜索和高级搜索功能介绍
化学材料学全球高引用
ACS材料视界
x-mol收录
自然科研论文编辑服务
南方科技大学
南方科技大学
西湖大学
中国科学院长春应化所于聪-4-8
复旦大学
课题组网站
X-MOL
深圳大学二维材料实验室张晗
中山大学化学工程与技术学院
试剂库存
天合科研
down
wechat
bug