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  • articleNo Access

    Molecular Dynamics (ReaxFF MD) Simulation of Hydrogen Effects on Air Heater Combustion

    Nano19 Feb 2025

    As a fuel commonly used by air heaters for ground tests of high-speed aircraft, the combustion mechanism of ethanol in air heaters is still unclear, especially the atomic-level chemical mechanism of important intermediate products represented by hydrogen in maintaining stable flame combustion needs to be further studied. In this paper, the combustion process of ethanol/oxygen mixtures under different hydrogen additions was simulated using the reactive force field (ReaxFF) molecular dynamics (MD) method. The results show that increasing the proportion of hydrogen in the mixed gas can not only reduce the ignition delay time of ethanol combustion but also promote the consumption of ethanol and accelerate the progress of the combustion reaction. It was also found that hydrogen and ethanol produced a competitive relationship for oxygen, which changed the ideal stoichiometric ratio (1:3) of complete combustion of ethanol and oxygen and significantly affected the intermediate products and reaction paths of ethanol and oxygen. In addition, increasing the combustion reaction temperature will affect the reaction path of ethanol/oxygen, and the number of intermediate products produced will reach the peak faster and then decompose. Theoretical support for a deeper understanding of the intermediate product hydrogen in the combustion of the three-component air heater of ethanol/liquid oxygen/air and also for improving the combustion efficiency of liquid rocket engine fuel are provided in this study.

  • articleNo Access

    CHROMATICITY DEPENDENCE ON Eu CONCENTRATION IN Y2O3:Eu NANOPOWDERS

    Nano01 Apr 2010

    Y2O3:Eu nanopowders were synthesized by urea combustion method containing different concentration of Eu. The synthesized Y2O3:Eu nanopowders were characterized by X-ray diffractometry, scanning electron microscopy (SEM), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), energy dispersive X-ray analysis (EDX) and photoluminescence spectroscopy (PL). The particle size was calculated to be in the range of 15–30 nm using Scherrer's formula. The Ia-3 structure of synthesized Y2O3:Eu nanopowders were confirmed with X-ray diffractometry. The crystallinity of Y2O3:Eu nanopowders were confirmed by SAED and TEM images. The 5D0–∑7FJ (J = 0, 1, 2, 3) and 5D17F1 transitions bands were observed at 575–650 and 530–550 ranges in the photoluminescence spectrum. The concentration quenching was estimated to be about 5 mol% of Eu. The best chromaticity to the standard red color was observed with the sample containing 3 mol% of Eu.