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

и другие.

Journal of the Chinese Chemical Society, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 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.

Язык: 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

и другие.

Thermochimica Acta, Год журнала: 2023, Номер 724, С. 179494 - 179494

Опубликована: Март 26, 2023

Язык: Английский

Процитировано

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

и другие.

Journal of the Chinese Chemical Society, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 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.

Язык: Английский

Процитировано

1