Crystal lattice free volume and thermal decomposition of nitramines

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F18%3A39912320" target="_blank" >RIV/00216275:25310/18:39912320 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.dt.2018.04.012" target="_blank" >http://dx.doi.org/10.1016/j.dt.2018.04.012</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.dt.2018.04.012" target="_blank" >10.1016/j.dt.2018.04.012</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Crystal lattice free volume and thermal decomposition of nitramines

Popis výsledku v původním jazyce

The linear, directly proportional, equations between the Arrhenius parameters (Ea and log A) of the thermal decomposition and the crystal lattice free space per molecule, ΔV, of 22 nitramines are described. It is shown that, because of a significant limitation by the molecular structural characteristics of such compounds, they are divided into a number of partial relationships. These partial relationships divide the nitramines into a group of substances relating to dimethyl nitramine and a sub-group related to ε-NIW. These directly proportional equations mean that an increase in the ΔV values is related to an increase in the thermal stability of the corresponding nitramines. A comparison with similar published dependencies for the impact and friction sensitivities, on the one hand, and with the relationship between the Ea values and the sum of the negative and positive extremes of molecular surface electrostatic potentials, on the other, confirms the well-known fact that intermolecular interaction in the nitramines studied plays a decisive role in the thermal reactivity of such compounds. The crystal lattice free space manifests itself here perhaps only in the solid state thermal decomposition of RDX, HMX and DINGU. This study again confirms a level of disorder in the distribution of the forces in the crystal lattice of the “common” quality of ε-HNIW, compared with its “reduced sensitivity (RS)” or pure analogues.

Název v anglickém jazyce

Crystal lattice free volume and thermal decomposition of nitramines

Popis výsledku anglicky

The linear, directly proportional, equations between the Arrhenius parameters (Ea and log A) of the thermal decomposition and the crystal lattice free space per molecule, ΔV, of 22 nitramines are described. It is shown that, because of a significant limitation by the molecular structural characteristics of such compounds, they are divided into a number of partial relationships. These partial relationships divide the nitramines into a group of substances relating to dimethyl nitramine and a sub-group related to ε-NIW. These directly proportional equations mean that an increase in the ΔV values is related to an increase in the thermal stability of the corresponding nitramines. A comparison with similar published dependencies for the impact and friction sensitivities, on the one hand, and with the relationship between the Ea values and the sum of the negative and positive extremes of molecular surface electrostatic potentials, on the other, confirms the well-known fact that intermolecular interaction in the nitramines studied plays a decisive role in the thermal reactivity of such compounds. The crystal lattice free space manifests itself here perhaps only in the solid state thermal decomposition of RDX, HMX and DINGU. This study again confirms a level of disorder in the distribution of the forces in the crystal lattice of the “common” quality of ε-HNIW, compared with its “reduced sensitivity (RS)” or pure analogues.

Druh

J_SC - Článek v periodiku v databázi SCOPUS

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Defence Technology

ISSN

2214-9147

e-ISSN

—

Svazek periodika

15

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

CN - Čínská lidová republika

Počet stran výsledku

7

Strana od-do

51-57

Kód UT WoS článku

000457214100005

EID výsledku v databázi Scopus

2-s2.0-85047555066