The solubility and recrystallization of 1,3,5-triamino-2,4,6-trinitrobenzene in a 3-ethyl-1-methylimidazolium acetate–DMSO co-solvent system

Han, T. Yong-Jin; Pagoria, Philip F.; Gash, Alexander E.; Maiti, Amitesh; Orme, Christine A.; Mitchell, Alexander R.; Fried, Laurence E.

doi:10.1039/b810109d

Cited by 38 publications

(34 citation statements)

References 26 publications

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“…Because all other methods are much harder to apply to ionic liquids, COSMO-RS is now widely used for the screening of suitable ionic liquids for certain separation and reaction problems (33, [74][75][76][77][78][79][80][81][82].…”

Section: Application Range and User Groupsmentioning

confidence: 99%

COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

Klamt

Eckert²,

Arlt

2010

Annu. Rev. Chem. Biomol. Eng.

494

441

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The conductor-like screening model for realistic solvation (COSMO-RS) method has been established as a novel way to predict thermophysical data for liquid systems and has become a frequently used alternative to force field-based molecular simulation methods on one side and group contribution methods on the other. Through its unique combination of a quantum chemical treatment of solutes and solvents with an efficient statistical thermodynamics procedure for the molecular surface interactions, it enables the efficient calculation of many properties that other methods can barely predict. This review presents a short delineation of the theory, the application potential and limitations of COSMO-RS, and its most important application areas.

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Section: Application Range and User Groupsmentioning

confidence: 99%

COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

Klamt

Eckert²,

Arlt

2010

Annu. Rev. Chem. Biomol. Eng.

494

441

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“…DAAF has safety characteristics (impact, friction) similar to those of TATB [79], but a critical diameter of less than 3 mm and shock sensitivity similar to HMX. The combination of these characteristics is unusual and makes DAAF an interesting explosive that is suitable for booster applications.…”

Section: Diaminoazoxyfurazan (Daaf)mentioning

confidence: 93%

Review on Promising Insensitive Energetic Materials

Badgujar¹

2017

Cent. Eur. J. Energ. Mater.

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During the last twenty years military explosives, and energetic materials in general, have changed significantly. Worldwide, research and development programs are active in developing promising insensitive HEMs with higher performance. This has been due to several factors, which include new operational requirements such as Insensitive Munitions (IM), but it is also due to the availability of new materials and to new assessment and modelling techniques. The present review focuses on the basic idea and necessity for IM, and the conditions, technical requirements and tests for IM. The review also explains the various promising insensitive high explosives, their synthesis and formulation used in different propellants.

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“…ILs have been shown to be good solvents for the dissolution of some energetic compounds, such as triaminotrinitrobenzene, HMX, and cyclotrimethylenetrinitramine. Additionally, crystals of the desired morphology and size have been recrystallized from IL solutions [15][16][17]. As a novel solvent, only few research has been conducted on the ultrafine processing of energetic materials.…”

Section: Introductionmentioning

confidence: 99%

Nano Cyclotetramethylene Tetranitramine Particles Prepared by a Green Recrystallization Process

Guo

et al. 2014

Propellants Explo Pyrotec

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The solubility of cyclotetramethylene tetranitramine (HMX) in four ionic liquids (ILs): 1,3‐dimethylimidazolium dimethylphosphate ([Memim]DMP), 1‐butyl‐3‐methylimidazolium chloride ([Bmim]Cl), 1‐hexyl‐3‐methylimidazolium bromide ([Hmim]Br), and 1‐ethyl‐3‐methylimidazolium tetrafluoroborate ([Emim]BF4) was investigated. Nano‐HMX were produced particles by spraying [Hmim]Br solution into purified ice water. Finally, the particle size, morphology, crystal phase, impact sensitivity, and thermal decomposition properties of nano‐HMX particles were tested and analyzed. All four ILs could dissolve HMX to a greater or lesser extent in the temperature range from 20 °C to 80 °C. The solubility of HMX in [Hmim]Br at 80 °C is up to 0.7 g mL−1. Recrystallized HMX particles are of polyhedral or spherical shape and 40 to 130 nm in size. X‐ray diffraction indicated that nano‐HMX has a similar crystal structure as raw HMX (β‐form). Compared with raw HMX, the nano‐HMX particles have much lower impact sensitivity. However, they are easier to explode than raw HMX under thermal stimulus due to the lower peak temperature and activation energy.

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The solubility and recrystallization of 1,3,5-triamino-2,4,6-trinitrobenzene in a 3-ethyl-1-methylimidazolium acetate–DMSO co-solvent system

Cited by 38 publications

References 26 publications

COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

Review on Promising Insensitive Energetic Materials

Nano Cyclotetramethylene Tetranitramine Particles Prepared by a Green Recrystallization Process

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