The surface properties of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane after partial solution in nitro esters

Korobko AP; Drozd SN; Krasheninnikov SV; Levakova IV; Chvalun SN; Milekhin YM; Shishov NI; Bestuzheva TA

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The surface properties of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane after partial solution in nitro esters

机译：1,3,5,7-四硝基-1,3,5,7-四氮杂环辛烷部分溶于硝基酯后的表面性质

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The thermophysical properties and surface structure of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (TNCO) particles before and after their contact with liquid nitro esters were studied by differential scanning calorimetry and small-angle X-ray scattering. The thermophysical properties of TNCO changed after contact with nitro esters, and the temperature range of the transition from the beta to delta polymorph broadened. This peculiarity was explained in terms of the fracton theory by changes in the heat capacity of particles related to the formation of nanoscale roughness with a fractal (scale-invariant) organization as a result of surface etching by solvents such as nitro esters, which are thermodynamically "bad" with respect to TNCO. The volume properties of particles did not change. The possibility of determining the fractal dimension of the surface of TNCO particles by differential scanning calorimetry was demonstrated. The rate of heating was then used as a "scale ruler" ("yardstick"), and the temperature range of the transition from the beta to delta polymorph, as a measured parameter. The dimension of the surface fractal was also determined by an independent method (small-angle X-ray scattering). The results obtained by the two methods were closely similar.

机译：用差示扫描量热法和小角X射线研究了1,3,5,7-四硝基-1,3,5,7-四氮杂环辛烷（TNCO）与液体硝基酯接触前后的热物理性质和表面结构。射线散射。与硝基酯接触后，TNCO的热物理性质发生了变化，并且从β到δ多晶型物转变的温度范围变宽。这种特殊性是根据fracton理论来解释的，这是由于热力学上通过溶剂（例如硝基酯）进行表面蚀刻而导致的，与具有分形（尺度不变）组织的纳米级粗糙度形成有关的颗粒热容量变化所致。对于TNCO而言“不好”。颗粒的体积特性没有改变。证明了通过差示扫描量热法确定TNCO颗粒表面的分形维数的可能性。然后将加热速率用作“标尺”（“尺”），并将从β到δ多晶型物转变的温度范围用作测量参数。表面分形的尺寸也通过独立方法（小角度X射线散射）确定。两种方法获得的结果非常相似。

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《Russian Journal of Physical Chemistry》 |2008年第10期|共7页
作者
Korobko AP; Drozd SN; Krasheninnikov SV; Levakova IV; Chvalun SN; Milekhin YM; Shishov NI; Bestuzheva TA;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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DIMENSION; POLYMERS;

机译：尺寸;聚合物;

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1. The surface properties of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane after partial solution in nitro esters [J] . Korobko AP, Drozd SN, Krasheninnikov SV, Russian Journal of Physical Chemistry . 2008,第10期

机译：1,3,5,7-四硝基-1,3,5,7-四氮杂环辛烷部分溶于硝基酯后的表面性质
2. Selective Extraction of N-Heterocyclic Precursors of 1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane (HMX) Using Molecularly Imprinted Polymers [J] . Wang Lei, Xu Zhi-Bin, Wang Peng, Propellants, Explosives, Pyrotechnics . 2013,第6期

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3. Accurately predicting the structure, density, and hydrostatic compression of crystalline β-1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane based on its wave-function-based potential [J] . Song H.-J., Huang F. EPL . 2011,第5期

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4. DFT studies of pressure effects on structural and vibrational properties of crystalline octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine [C] . Weihua Zhu, Xiaowen Zhang, Tao Wei, ICMSI;International conference of molecular simulations and applied informatics technologies . 2010

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机译：六羟基甲基1,3,5-三硝基-1,3,5-三嗪（RDX）和八烷基-1,3,5,7-四氨基-1,3,5,7-四氮杂胺（HMX）的结构和氧化还原性能吸附在二氧化硅表面上。 DFT M05计算研究

The surface properties of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane after partial solution in nitro esters

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