前沿科研成果融入化工安全实验教学——叔丁基过氧化氢热分解反应过程  

Integrating Frontier Scientific Research into the Experiment Teaching of Chemical Safety:The Reaction Process of the Thermal Decomposition of Tert-butyl Hydroperoxide

作　　者：张鑫[1] 潘勇[1] 赵声萍[1] Zhang Xin;Pan Yong;Zhao Shengping(Nanjing Tech University,Nanjing 211816,China)

机构地区：[1]南京工业大学,江苏南京211816

出　　处：《广东化工》2024年第21期197-199,205,共4页Guangdong Chemical Industry

摘　　要：本文设计了一个叔丁基过氧化氢热分解过程的反应分子动力学模拟化工安全实验,包括模型构建、模拟计算、结果分析等内容。分析了不同温度下体系势能和总产物数,以及热分解主要产物信息,并与文献上的实验工作相比较。进一步分析热分解初始反应路径。本文将前沿科研成果与实验教学紧密结合,让学生从微观尺度思考解析热分解反应机理,有利于扩展所学的专业知识,提升学生的创新意识、自主学习和分析问题等方面的能力。A chemical safety experiment of the thermal decomposition process of tert-butyl hydroperoxide via reactive molecular dynamics simulations is designed in this article,including model construction,simulation calculations,result analysis,etc.The system potential energy and total number of products at different temperatures,as well as the main product information of the thermal decomposition,are analyzed and compared with experimental works in the literature.Further analysis of the initial reaction pathways of thermal decomposition is made.This article closely combines the frontier scientific research results with the experimental teaching,allowing students to think and analyze the reaction mechanism of thermal decomposition from a microscopic scale,which is expected to expand the professional knowledge and improve students'abilities of innovative thinking,independent learning,and problem analysis.

关 键 词：叔丁基过氧化氢 热分解 反应分子动力学 科教融合 创新能力培养 

分 类 号：TQ[化学工程]