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Nanoparticles have been an area of active research in recent years due to their properties, which can be greatly different from the bulk. In this work, we study the sintering of TiO2 nanoparticles using molecular dynamics simulations. Such sintering occurs in flame reactors where nanotitania is prepared via the chloride process. Decrease in free energy due to reduction in surface area is the main driving force for sintering of particles. Simulations, at various starting temperatures and orientations, indicate that the process of sintering is strongly affected by temperature and initial orientation. Extremely high diffusion of ions in the neck region of sintering nanoparticles supports the idea that solid-state diffusion is significant in metal-oxide nanoparticle sintering. It is found that the dipole-dipole interaction between sintering nanoparticles plays a very important role at temperatures away from the melting point. The duration of the simulation is not enough to observe the complete sintering process, but important initial stages are well studied. 相似文献
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Nahar Singh VN Ojha Nijhuma Kayal Tarushee Ahuja Prabhat K Gupta 《Chemistry Central journal》2011,5(1):17
Arsenic is the toxic element, which creates several problems in human being specially when inhaled through air. So the accurate
and precise measurement of arsenic in suspended particulate matter (SPM) is of prime importance as it gives information about
the level of toxicity in the environment, and preventive measures could be taken in the effective areas. Quality assurance
is equally important in the measurement of arsenic in SPM samples before making any decision. The quality and reliability
of the data of such volatile elements depends upon the measurement of uncertainty of each step involved from sampling to analysis.
The analytical results quantifying uncertainty gives a measure of the confidence level of the concerned laboratory. So the
main objective of this study was to determine arsenic content in SPM samples with uncertainty budget and to find out various
potential sources of uncertainty, which affects the results. Keeping these facts, we have selected seven diverse sites of
Delhi (National Capital of India) for quantification of arsenic content in SPM samples with uncertainty budget following sampling
by HVS to analysis by Atomic Absorption Spectrometer-Hydride Generator (AAS-HG). In the measurement of arsenic in SPM samples
so many steps are involved from sampling to final result and we have considered various potential sources of uncertainties.
The calculation of uncertainty is based on ISO/IEC17025: 2005 document and EURACHEM guideline. It has been found that the
final results mostly depend on the uncertainty in measurement mainly due to repeatability, final volume prepared for analysis,
weighing balance and sampling by HVS. After the analysis of data of seven diverse sites of Delhi, it has been concluded that
during the period from 31st Jan. 2008 to 7th Feb. 2008 the arsenic concentration varies from 1.44 ± 0.25 to 5.58 ± 0.55 ng/m3 with 95% confidence level (k = 2). 相似文献
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DS Zhulai SA Bugaychuk GV Klimusheva TA Mirnaya VN Asaula VI Handziuk 《Liquid crystals》2017,44(8):1269-1276
The class of thermotropic ionic liquid crystals (LCs) of the metal alkanoates possesses a number of unique properties, such as intrinsic ionic conductivity, high dissolving ability and ability to form time-stable mesomorphic glasses. These ionic LCs can be used as nanoreactors for the synthesis and stabilisation of different types of nanoparticles (NPs). Thus, some semiconductors, metals and core/shell NPs were chemically synthesised in the thermotropic ionic liquid crystalline phase (smectic A) of the cadmium octanoate (CdC8) and of the cobalt octanoate (CoC8). By applying the scanning electron microscopy, the cadmium and cobalt octanoate composites containing CdS, Au, Ag and core/shell Au/CdS NPs have been studied. NPs’ sizes and dispersion distribution of the NPs’ size in the nanocomposites have been obtained. 相似文献
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Molecular dynamics simulations were used to determine the melting points of anatase and rutile nanoparticles. The melting
points decrease with decrease in particle diameter and are in reasonable agreement with the empirical formula derived by Buffat
and Borel. The phenomenological model of Koch and Friedlander is unable to predict the temperature rise during initial stages
of sintering with acceptable accuracy. It is argued that the Koch and Friedlander assumption of linear surface reduction rate
upon sintering may be inadequate for the time scales under consideration. A theoretical model using direct area measurement
from molecular dynamics simulations and a single adjustable parameter is able to predict temperature rise during initial stages
of sintering within acceptable error limits. 相似文献
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