The role of crystal lattice free volume in nitramine detonation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F19%3A39914286" target="_blank" >RIV/00216275:25310/19:39914286 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S2214914719301023" target="_blank" >https://www.sciencedirect.com/science/article/pii/S2214914719301023</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.dt.2019.05.004" target="_blank" >10.1016/j.dt.2019.05.004</a>

Jazyk výsledku

angličtina

Název v původním jazyce

The role of crystal lattice free volume in nitramine detonation

Popis výsledku v původním jazyce

Crystal lattice free volumes, ΔV, of 22 nitramines introduced into relationships of maximal theoretical crystal densities (TMD), detonation velocities (D) and volume heats of explosives (ρ.Q). Values of all these characteristics increase with an increase in the ΔV values. However, more realistic dependencies for the TMD and D values are obtained by using correlations with ratio of the intrinsic molecular volume, Vint, to ΔV (i.e. Vint/ΔV), whereby the dependence on the D values reflects their similar relationship to a sum of the positive (VS,max) and negative (VS,min) extremes of the molecular surface electrostatic potentials (VS,Σ). Also, directly proportional linear relationships are specified between the VS,Σ values on the one hand, and the ΔV and Vint/ΔV values, on the other. It is stated that the crystal lattice free volumes might have a similar role in detonation of nitramines as the intermolecular force effect in their molecular crystals (they are as if representative of such forces).

Název v anglickém jazyce

The role of crystal lattice free volume in nitramine detonation

Popis výsledku anglicky

Crystal lattice free volumes, ΔV, of 22 nitramines introduced into relationships of maximal theoretical crystal densities (TMD), detonation velocities (D) and volume heats of explosives (ρ.Q). Values of all these characteristics increase with an increase in the ΔV values. However, more realistic dependencies for the TMD and D values are obtained by using correlations with ratio of the intrinsic molecular volume, Vint, to ΔV (i.e. Vint/ΔV), whereby the dependence on the D values reflects their similar relationship to a sum of the positive (VS,max) and negative (VS,min) extremes of the molecular surface electrostatic potentials (VS,Σ). Also, directly proportional linear relationships are specified between the VS,Σ values on the one hand, and the ΔV and Vint/ΔV values, on the other. It is stated that the crystal lattice free volumes might have a similar role in detonation of nitramines as the intermolecular force effect in their molecular crystals (they are as if representative of such forces).

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

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

4

Stát vydavatele periodika

CN - Čínská lidová republika

Počet stran výsledku

7

Strana od-do

519-525

Kód UT WoS článku

000486438100006

EID výsledku v databázi Scopus

2-s2.0-85066261979