Special Heat Capacity, Thermodynamic Properties and Adiabatic Time-to-Explosion of 1,1-Diamino-2,2-dinitroethylene

Acta Chimica Sinica ›› 2007, Vol. 65 ›› Issue (24): 2827-2831. Previous Articles Next Articles

1,1-二氨基-2,2-二硝基乙烯的比热容、热力学性质及绝热至爆时间研究

徐抗震¹, 宋纪蓉*^{,1,2, 赵凤起³, 曹哲晖¹, 马海霞¹, 胡荣祖³, 高红旭³,黄洁¹}

(¹西北大学化工学院陕西省物理无机化学重点实验室西安 710069)
(²故宫博物院文保科技部北京 100009)
(³西安近代化学研究所西安 710065)

投稿日期:2007-03-06 修回日期:2007-09-10 发布日期:2007-12-28
通讯作者: 宋纪蓉

Special Heat Capacity, Thermodynamic Properties and Adiabatic Time-to-Explosion of 1,1-Diamino-2,2-dinitroethylene

XU Kang-Zhen¹; SONG Ji-Rong*^{,1,2; ZHAO Feng-Qi³; CAO Zhe-Hui¹; MA Hai-Xia¹; HU Rong-Zu³; GAO Hong-Xu³; HUANG Jie¹}

(¹Department of Chemical Engineering, Shaanxi Key Laboratory of Physico-inorganic Chemistry, Northwest University, Xi'an 710069)
(²Conservation Technology Department, The Palace Museum, Beijing 100009)
(³Xi'an Modern Chemistry Research Institute, Xi'an 710065)

Received:2007-03-06 Revised:2007-09-10 Published:2007-12-28
Contact: SONG Ji-Rong

Abstract

The standard molar special heat capacity of 1,1-diamino-2,2-dinitroethylene (FOX-7) was determined with two continuous C_p modes of a mircocalorimeter (Micro-DSCⅢ) to be 176.56 and 176.02 J•mol^－1•K^－1 at 298.15 K, respectively. The relative deviation between these two results is 0.31%. The special heat capacity of FOX-7 was also calculated by a DFT-RB3LYP/6-311＋＋G** method in Gaussian 03W package, and the relative deviation between theoretical calculation and experimental determination ranged from 13.27% to 15.46% within 283～353 K. Using the above determination results of special heat capacity, thermodynamic functions of FOX-7, relative to the standard temperature 298.15 K, were calculated through the thermodynamic relationship, and adiabatic time-to-explosion was also obtained.

Key words: 1,1-diamino-2,2-dinitroethylene (FOX-7), special heat capacity, thermodynamic property, adiabatic time-to-explosion

Cite this article

XU Kang-Zhen; SONG Ji-Rong*^,1,2; ZHAO Feng-Qi³; CAO Zhe-Hui; MA Hai-Xia; HU Rong-Zu³; GAO Hong-Xu³; HUANG Jie. Special Heat Capacity, Thermodynamic Properties and Adiabatic Time-to-Explosion of 1,1-Diamino-2,2-dinitroethylene[J]. Acta Chimica Sinica, 2007, 65(24): 2827-2831.

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1,1-二氨基-2,2-二硝基乙烯的比热容、热力学性质及绝热至爆时间研究

Special Heat Capacity, Thermodynamic Properties and Adiabatic Time-to-Explosion of 1,1-Diamino-2,2-dinitroethylene

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