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1.
Molecules ; 27(15)2022 Jul 26.
Artigo em Inglês | MEDLINE | ID: mdl-35897950

RESUMO

In the niche area of energetic materials, a balance between energy and safety is extremely important. To address this "energy-safety contradiction", energetic cocrystals have been introduced. The investigation of the synthesis methods, characteristics, and efficacy of energetic cocrystals is of the utmost importance for optimizing their design and development. This review covers (i) various synthesis methods for energetic cocrystals; (ii) discusses their characteristics such as structural properties, detonation performance, sensitivity analysis, thermal properties, and morphology mapping, along with other properties such as oxygen balance, solubility, and fluorescence; and (iii) performance with respect to energy contents (detonation velocity and pressure) and sensitivity. This is followed by concluding remarks together with future perspectives.


Assuntos
Cristalização , Cristalização/métodos , Solubilidade
2.
Environ Sci Pollut Res Int ; 29(52): 78795-78808, 2022 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-35699876

RESUMO

Ensuring adequate implementation of solar energy for providing environment-friendly energy to the household sector, which can considerably abate pollutants in the environment and make power industry structure sustainable, is necessary for developing countries. Comparison in terms of environmental and cost impacts of renewable energy (hybrid solar system) with non-renewable energy sources, water and planning development authority (WAPDA), and diesel generators (DGs) has been examined in the household sector of Pakistan. Primary data of hybrid solar systems have been obtained from 10 different households segregated them into two categories according to their income as medium-income households (MIHs) and lower income households (LIHs) containing 5 kW and 3 kW of hybrid solar energy systems, respectively. While operating with a hybrid solar energy system instead of a non-renewable energy system, in terms of average generated power and average running load, carbon dioxide (CO2) emissions can be reduced up to 8,446.6 kg CO2 and 6,131.725 kg CO2, respectively, in the next 25 years. Comparison of costs indicated that renewable energy has a comparatively low cost per electric unit. It can pay back its total installation cost in just 8 years and can save a sum of $4,936.4375, along with many more ecological, economic, and societal benefits. Pakistan can efficiently utilize solar energy to relegate CO2 emissions and general costs as it has distinct geographical features to access sunlight in most days of the year.


Assuntos
Poluentes Ambientais , Energia Solar , Dióxido de Carbono/análise , Energia Renovável , Água , Desenvolvimento Econômico
3.
ChemistryOpen ; 9(4): 470-479, 2020 04.
Artigo em Inglês | MEDLINE | ID: mdl-32313787

RESUMO

4-amino-3-aminopyrazole-8-trinitropyrazolo-[5, 1-c] [1, 2, 4]triazine (PTX, C5H2N8O6) has good detonation performance, thermal stability and low mechanical sensitivity, which endow it with good development prospects in insensitive ammunition applications. To study the effects of polymerization on the decomposition of PTX, the reaction processes of PTX at different conditions were simulated by quantum chemistry and molecular dynamics methods. In this paper, the effects of polymerization on the decomposition of PTX were studied in terms of species information, reaction path of PTX, bond formation and bond cleavage, evolution of small molecules and clusters, and kinetic parameters at different stages. The results show that under the high-temperature and high-pressure conditions, the initial reaction path of unimolecular PTX in the thermal decomposition is mainly the cleavage of C-NO2 bonds. At the same time, there are many polymerization reactions in thermal decomposition process, which may greatly affect the reaction rate and path. The higher the degree of polymerization, the larger equilibrium value of potential energy, the less energy release of thermal decomposition. Compared with the activation energy of other explosives, the activation energy of PTX is higher than that of ß-HMX and lower than that of TNT.

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