CL‐20/4,5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation DOI
Xuan Zhou, Liang Song, Xing Li

et al.

Journal of the Chinese Chemical Society, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 25, 2024

Abstract CL‐20/4,5‐MDNI exists in two cocrystal forms with different stoichiometric ratios of 1:1 and 1:3. The properties (such as blast performance, thermal sensitivity, density) the cocrystals are significantly different, but both expected to become new high‐energy insensitive explosives have good applications. AE model molecular dynamics were used simulate crystal morphology important planes 1:3 under vacuum conditions, well five solvents temperatures. has main growth (002), (102), (111), (020) (021), which (002) largest proportion. six (001), (010), (011), (100), (101) (001) accounts for aspect ratio acetonitrile methanol 1.936 1.680, respectively. results consistent experiments, certain guiding significance obtain a closer spherical shape.

Language: Английский

Towards the thermal reactivity and behavior of co-agglomerated crystals of DATB and TATB with attractive nitramines DOI
Veerabhadragouda B. Patil, Roman Svoboda, Svatopluk Zeman

et al.

Thermochimica Acta, Journal Year: 2023, Volume and Issue: 724, P. 179494 - 179494

Published: March 26, 2023

Language: Английский

Citations

7
CL‐20/4,5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation DOI
Xuan Zhou, Liang Song, Xing Li

et al.

Journal of the Chinese Chemical Society, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 25, 2024

Abstract CL‐20/4,5‐MDNI exists in two cocrystal forms with different stoichiometric ratios of 1:1 and 1:3. The properties (such as blast performance, thermal sensitivity, density) the cocrystals are significantly different, but both expected to become new high‐energy insensitive explosives have good applications. AE model molecular dynamics were used simulate crystal morphology important planes 1:3 under vacuum conditions, well five solvents temperatures. has main growth (002), (102), (111), (020) (021), which (002) largest proportion. six (001), (010), (011), (100), (101) (001) accounts for aspect ratio acetonitrile methanol 1.936 1.680, respectively. results consistent experiments, certain guiding significance obtain a closer spherical shape.

Language: Английский

Citations

1