Preparation, Crystal Structure and Thermal Behavior of K(FOX-7)·H2O

Chem. J. Chinese Universities ›› 2010, Vol. 31 ›› Issue (4): 638.

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Preparation, Crystal Structure and Thermal Behavior of K(FOX-7)·H2O

XU Kang-Zhen^1*, ZUO Xian-Gang², SONG Ji-Rong^1,3, WANG Feng¹, HUANG Jie¹, CHANG Chun-Ran¹

1. School of Chemical Engineering, Northwest University, Xi′an 710069, China;
2. College of Information Engineering, Henan Institute of Science and Technology, Xin′xiang 453003, China;
3. Conservation Technology Department, the Palace Museum, Beijing 100009, China

Received:2009-09-02 Online:2010-04-10 Published:2010-04-10
Contact: XU Kang-Zhen. E-mail: xukz@nwu.edu.cn
Supported by:
国家自然科学基金(批准号: 20803058)、陕西省自然科学基金(批准号: SJ08B10)、总装备部武器装备预研基金(批准号: 9140C3503010905)和西北大学研究生创新基金(批准号: 09YSY25)资助.

Abstract

Abstract:

A high-energy organic potassium salt of 1,1-diamino-2,2-dinitroethlyene(FOX-7) was synthesized by mixing FOX-7 and KOH in water-methanol system. Crystal structure of K(FOX-7)·H₂O was determined by X-ray diffraction analysis. The crystal belongs to triclinic crystallographic system, space group P1 and cell parameters: a=0.7493(2) nm, b=0.9767(3) nm, c=2.0035(5) nm, α=90.017(4)°, β=97.129(4)°, γ=90.019(4)°, V=1.4548(7) nm³, D_c=1.865 g/cm³, μ=0.724 mm^-1, F(000)=832, Z=8, R₁=0.0523, wR₂=0.1082. The thermal behavior of K(FOX-7)·H₂O was studied, and the apparent activation energy and pre-exponential factor of the second decomposition reaction are 135.9 kJ·mol^-1 and 1012.17s^-1, respectively. The critical temperature of thermal explosion is 212.02 ℃. The specific heat capacity of K(FOX-7)·H₂O was determined with micro-DSC method, and the molar heat capacity is 210.88 J·mol^-1·K^-1at 298.15 K. Thermodynamic functions of K(FOX-7)·H₂O, relative to the standard temperature 298.15K, were calculated through thermodynamic relationship, and the adiabatic time-to-explosion also was obtained as a certain value between 15.7—16.8 s.

Key words: 1,1-Diamino-2,2-dinitroethlyene(FOX-7); Potassium salt; Crystal structure; Thermal behavior; Adiabatic time-to-explosion

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XU Kang-Zhen*, ZUO Xian-Gang, SONG Ji-Rong, WANG Feng, HUANG Jie, .... Preparation, Crystal Structure and Thermal Behavior of K(FOX-7)·H2O[J]. Chem. J. Chinese Universities, 2010, 31(4): 638.

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Preparation, Crystal Structure and Thermal Behavior of K(FOX-7)·H2O

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