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1.
J Mol Model ; 24(8): 189, 2018 Jul 03.
Artigo em Inglês | MEDLINE | ID: mdl-29971576

RESUMO

In a continuing effort to evaluate the properties of new possible high energy density materials, we have calculated the optimized geometries and thermodynamic properties of a series of nitro derivatives of triazetidine, c-CH2(NH)3. After evaluating approximately 50 different levels of NO2 substitution and conformations, we predict that several nitrotriazetidine compounds show some significantly desirable HEDM properties. Graphical abstract The triazetidine molecule, the parent structure for a series of new hypothetical high energy densitymaterials with various NO2 content.

2.
ACS Appl Mater Interfaces ; 10(26): 21765-21781, 2018 Jul 05.
Artigo em Inglês | MEDLINE | ID: mdl-29897230

RESUMO

Fluid-fluid interfaces have widespread applications in personal care products, the food industry, oil recovery, mineral processes, etc. and are also important and versatile platforms for generating advanced materials. In Pickering emulsions, particles stabilize the fluid-fluid interface, and their presence reduces the interfacial energy between the two fluids. To date, most Pickering emulsions stabilized by 2D particles make use of clay platelets or GO nanosheets. These systems have been used to template higher order hybrid, functional materials, most commonly, armored polymer particles, capsules, and Janus nanosheets. This review discusses the experimental and computational study of the assembly of sheet-like 2D particles at fluid-fluid interfaces, with an emphasis on the impact of chemical composition, and the use of these assemblies to prepare composite structures of dissimilar materials. The review culminates in a perspective on the future of Pickering emulsions using 2D particle surfactants, including new chemical modification and types of particles as well as the realization of properties and applications not possible with currently accessible systems, such as lubricants, porous structures, delivery, coatings, etc.

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