基于研磨过程研究TNT/NNAP含能共晶形成机理  

TNT/NNAP Cocrystal Formation Mechanism via Grinding Process

作　　者：易镇鑫 张宇 王天平 张琳[1] 朱顺官[1] YI Zhen-xin;ZHANG Yu;WANG Tian-ping;ZHANG Lin;ZHU Shun-guan(Department of Applied Chemistry,Nanjing University of Sci&Tech,Nanjing,210094,China)

机构地区：[1]南京理工大学化工学院,江苏南京210094

出　　处：《含能材料》2020年第9期861-864,I0006,共5页Chinese Journal of Energetic Materials

基　　金：国家自然科学基金(51676100)。

摘　　要：为了研究2,4,6-三硝基甲苯(TNT)/1-硝基萘(NNAP)含能共晶形成过程,采用粉末X射线衍射(PXRD),傅里叶变换红外吸收光谱(FTIR)和差示扫描量热仪(DSC)在0,10,20,30,40,50 s以及2 min时刻下,对TNT/NNAP体系进行了研究。PXRD结果显示,不同研磨时间下的TNT/NNAP,在衍射角2θ=25.8°处首先出现新衍射峰并逐渐增强,该衍射峰对应TNT/NNAP共晶的{211}晶面;FTIR结果显示,随着反应的进行,TNT中C—N—O的弯曲振动峰(716 cm^-1)发生蓝移且峰变得尖锐,TNT苯环上C—C的弯曲振动峰(734 cm^-1)发生红移;DSC结果表明,TNT/NNAP共晶形成过程中在50,61,65℃出现三个吸热峰。结果表明,TNT/NNAP共晶首先在{211}晶面堆积,氢键和π-π堆积在形成TNT/NNAP共晶中起关键作用,TNT/NNAP生成2个低共熔物,再转化为共晶,共晶的熔点为65℃。In order to study the formation mechanism of 2,4,6-trinitrotoluene(TNT)/1-nitronaphthalene(NNAP)cocrystal,powder XRD,FTIR and DSC were used to study the TNT/NNAP samples after grinding at 0 s,10 s,20 s,30 s,40 s,50 s and 2 mins.The XRD patterns showed that the new diffraction peak,corresponded to(2-11)plane of TNT/NNAP cocrystal,appeared at 2θ=25.8°and gradually increased its intensity.FTIR spectrum illuminated that the C—N—O bending vibration peak(716 cm^-1)of TNT had a blue-shift and became sharp.At the same time,due toπ-πstacking,the C—C bending vibration peak(734 cm^-1)of TNT benzene ring exhibited a red-shift.The DSC curves indicated there were three endotherm peaks during the formation of cocrystal.These results showed that cocrystal packed at(2-11))plane firstly.H-bond andπ-πstacking played important roles in the formation of TNT/NNAP cocrystal.TNT and NNAP firstly generated two eutectics,then transferred into TNT/NNAP cocrystal.The melting point of this cocrystal is 65℃.

关 键 词：2 4 6-三硝基甲苯(TNT)/1-硝基萘(NNAP)含能共晶 晶面 氢键 Π-Π堆积 低共熔物 

分 类 号：O742.1[理学—晶体学]