甲基膦酸二甲酯(DMMP)的氧化实验和机理研究  

Oxidation and kinetic study of dimethyl methyl phosphonate(DMMP)by synchrotron photoionization mass spectrometry

作　　者：井艺璇 王占东 JING Yixuan;WANG Zhandong(State Key Laboratory of Fire Science,University of Science and Technology of China,Hefei 230026,China;National Synchrotron Radiation Laboratory,University of Science and Technology of China,Hefei 230029,China)

机构地区：[1]中国科学技术大学火灾科学国家重点实验室,合肥230026 [2]中国科学技术大学国家同步辐射实验室,合肥230029

出　　处：《火灾科学》2023年第4期225-235,共11页Fire Safety Science

基　　金：国家自然科学基金项目(No.51176179和51036007)。

摘　　要：甲基膦酸二甲酯(DMMP)是有机含磷化合物中一类具有良好阻燃效果的物质,然而DMMP及其氧化产物的定量研究不足,阻碍了DMMP燃烧机理的进一步探索研究。本工作基于同步辐射真空紫外光电离质谱(SVUV-PIMS),使用射流搅拌反应器(JSR)在810 K~1170 K的温度范围内进行了DMMP的常压(1 atm)氧化实验,测量了贫燃条件下(φ=0.5)DMMP及其氧化产物的摩尔分数随温度变化的曲线。此外,使用CHEMKIN-PRO软件进行了动力学模拟。实验和模拟的对比结果表明,模型对于DMMP氧化的预测较差。随后基于灵敏性分析(Sensitivity Analysis)和反应路径(ROP)分析的结果,对模型的优化提出建议。本工作为进一步研究DMMP的燃烧和建立更完善的DMMP动力学模型奠定了基础。Dimethyl methyl phosphonate(DMMP)is an organic phosphorous compound(OPC)with good effectiveness as a retardant.However,the lack of quantificational study for DMMP oxidation hinders the development of the combustion mechanism of DMMP.In this work,oxidation experiments of DMMP were carried out in a jet-stirred reactor(JSR)coupled to synchrotron vacuum ultraviolet photoionization mass spectrometry(SVUV-PIMS)at 1 atm,from 810 K to 1170 K,to quantitatively measure the mole fraction profiles of DMMP and its oxidation products at phi=0.5.In addition,the simulation was conducted by CHEMKIN-PRO software using previous models.After comparing the experimental data and simulation results,the models predict DMMP oxidation terriblilly.Then,the sensitivity analysis and the rate of production analysis were conducted in this work in order to provide suggestions for model development.This preliminary work laid a foundation to further study the DMMP combustion and to develop the kinetic model of organophosphorus compounds.

关 键 词：有机含磷化合物 阻燃 动力学模型 同步辐射光电离质谱 甲基膦酸二甲酯(DMMP) 

分 类 号：X932[环境科学与工程—安全科学]