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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

    CHARACTERISATION AND LUMINESCENCE INVESTIGATIONS OF Mn DOPED CaAl2O4 PHOSPHOR PREPARED BY COMBUSTION

    Manganese-doped calcium aluminate powder was prepared at furnace temperatures as low as 500°C using the combustion route without further calcining treatment. Powder X-ray diffraction, thermogravimetric analysis and scanning electron microscopy measurements were used to characterize the as-prepared combustion products, while the optical properties were studied using photoluminescence. Photoluminescence studies of Mn doped CaAl2O4 showed green emission from Mn2+ ions. EPR investigations also indicated the presence of Mn2+ ions in the prepared material.

  • articleNo Access

    Green synthesis of chromium substituted calcium hexaferrite nanoparticles for high-frequency applications

    For the first of its kind, Cr3+-substituted calcium hexaferrite (CaCrxFe12xO19 (x=1, 3, 5 and 7)) nanoparticles (NPs) were synthesized via a facile, economical, eco-friendly lemon juice extract mediated green solution combustion method. The samples were calcined followed by characterization. The Bragg reflections confirm the formation of a single phase M-type hexaferrite crystal structure. No other impurity or mixed phases are observed even after the substitution of Cr3+ to the host matrix. Meanwhile, the crystallite size decreases from 29.44 to 19.92nm with an increase in the substitution of Cr3+ ions. The surface morphological analysis shows the presence of agglomerated irregularly shaped NPs. The direct energy band gap estimated using Wood and Tauc’s relation depicts the decrease in energy band gap from 2.98 to 2.74eV with an increase in the substitution of Cr3+ ions. These Cr3+-substituted calcium hexaferrite NPs were predicted to be useful in high-frequency applications based on structural, dielectric, and magnetic studies.

  • articleNo Access

    Combustion performance of the premixed and diffusion burners with used lubricating oil and used cooking oil as fuel

    This work investigated combustion performance of the premixed and diffusion burners by measuring flame temperature and gas emissions with used lubricating oil (ULO) and used cooking oil (UCO). Air–fuel ratio (AFR) is an important parameter to investigate combustion performance. Flame temperatures and gas emissions of the burners were examined to know the combustion behavior. The results found were that the flame temperatures in the premixed burner were higher than the diffusion burner at all the AFRs. The maximum flame temperature was obtained at AFR = 16 at all types of burners and fuel blending ratios. The highest flame temperature was 1340C, which occurred when using 100% ULO with premixed burner at AFR = 16. By adding UCO into ULO, the flame temperatures can be decreased. The premixed burner produced 86.67% and 71.23% less CO and HC emissions, respectively, than the diffusion burner, in contrast, the premixed burner formed 26.31% and 54.7% higher CO2 and NOx emissions, respectively, than the diffusion burner.

  • articleNo Access

    NONPERIODIC OSCILLATIONS OF PRESSURE IN A SPARK IGNITION COMBUSTION ENGINE

    We report our results on nonperiodic experimental time series of pressure in a spark ignition engine. The experiments were performed for a low rotational velocity of a crankshaft and a relatively large spark advance angle. We show that the combustion process has many chaotic features. Surprisingly, the reconstructed attractor has a characteristic butterfly shape similar to a chaotic attractor of Lorentz type. The suitable recurrence plot shows that the dynamics of the combustion is a nonlinear multidimensional process mediated by stochastic noise.

  • articleNo Access

    NONLINEAR/CHAOTIC MODELING AND CONTROL OF COMBUSTION INSTABILITIES

    A discrete dynamic model accounting for both combustion and vaporization processes is proposed. In terms of different bifurcation parameters relevant to either combustion or evaporation, various bifurcation diagrams are presented. Furthermore, the corresponding Lyapunov exponent is calculated and employed to analyze the stability of the particular dynamic system. The study indicates conclusively that the evaporation process has a significant impact on the intensity and nonlinear behavior of the system of interest, vis-à-vis a model accounting for only the gaseous combustion process. Moreover, a minimum entropy control method is employed to control the chaotic behavior inherent to the system of interest. This algorithm is intended to be implemented for control of combustion instability numerically and experimentally to provide a basis for some of the control methodologies employed in the literature.

  • articleNo Access

    Electrochemical Sensing of Dopamine and Antibacterial Properties of ZnO Nanoparticles Synthesized from Solution Combustion Method

    We have successfully synthesized ZnO nanoparticles (NPs) from solution combustion method using combustible fuel (Green gram). XRD pattern confirms that the prepared compound is composed of wurtzite hexagonal zinc-oxide. FTIR spectrum of ZnO NPs shows the band at ~ 417 cm-1 associated with the characteristic vibration of Zn-O. The UV-Vis spectrum shows a strong absorption band at ~ 365 nm which is blue shifted due to quantum confinement effect. TEM images show the average sizes of the nanoparticles are found to be almost ~ 15–30 nm. The as-synthesized product shows good electrochemical sensing of dopamine. Furthermore the antibacterial properties of ZnO NPs were investigated by their bactericidal activity against four bacterial strains using the agar well diffusion method.

  • articleNo Access

    Antibacterial and Photocatalytic Activities of ZnO Nanoparticles: Synthesized Using Water Melon Juice as Fuel

    In the present work, Zinc Oxide nanoparticles (ZnO Nps) have been prepared by a simple and low temperature solution combustion method using Zinc nitrate as a precursor and solid water melon juice as a novel fuel for the first time. The structure and morphology of the synthesized ZnO NPs have been analyzed using various analytical techniques such as Powder X-ray diffraction, FTIR spectroscopy, Raman spectroscopy, UV-Visible spectroscopy, photoluminescence spectroscopy, scanning electron microscope and transmission electron microscope. ZnO NPs show good photo catalytic activity for the degradation of methylene blue (MB) dye. It also shows significant antibacterial activities against three bacterial strains.

  • articleNo Access

    Electrochemical Sensing, Photocatalytic and Biological Activities of ZnO Nanoparticles: Synthesis via Green Chemistry Route

    In this paper, we have successfully synthesized ZnO nanoparticles (Nps) via solution combustion method using sugarcane juice as the novel fuel. The structure and morphology of the synthesized ZnO Nps have been analyzed using various analytical tools. The synthesized ZnO Nps exhibit excellent photocatalytic activity for the degradation of methylene blue dye, indicating that the ZnO Nps are potential photocatalytic semiconductor materials. The synthesized ZnO Nps also show good electrochemical sensing of dopamine. ZnO Nps exhibit significant bactericidal activity against Klebsiella aerogenes, Pseudomonas aeruginosa, Eschesichia coli and Staphylococcus aureus using agar well diffusion method. Furthermore, the ZnO Nps show good antioxidant activity by potentially scavenging 1-diphenyl-2-picrylhydrazyl (DPPH) radicals. The above studies clearly demonstrate versatile applications of ZnO synthesized by simple eco-friendly route.

  • 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.

  • articleOpen Access

    EFFECT OF Zn ADDITION ON LUMINESCENCE OF Y2O3:Eu NANOPOWDERS USING SOLUTION COMBUSTION METHOD

    In this study, the effect of Zn doping on photoluminescence, Chromaticity and structural properties of Y2O3:Eu compound were studied. For this purpose, various Y2O3:Eu samples containing different Zn2+ concentration and distribution were prepared by combustion method. The resultant samples were characterized by X-ray diffractometry (XRD), Photoluminescence spectroscopy (PL) and scanning electron microscopy (SEM). The XRD patterns of samples were also examined by Rietveld refinement method and results showed that the samples had nano-sized crystallites. It has been also shown that doping of Zn2+ ion in structure of Y2O3:Eu compound can effectively enhance the PL intensity and chromaticity of Y2O3:Eu compound, while doping of Zn at surface of Y2O3:Eu powder reduces PL intensity, crystallinity and chromaticity of this compound.

  • articleOpen Access

    SYNTHESIS OF DIOPSIDE BY SOLUTION COMBUSTION PROCESS USING GLYCINE FUEL

    Nano ceramic Diopside (CaMgSi2O6) powders are synthesized by Solution Combustion Process(SCS) using Calcium nitrate, Magnesium nitrate as oxidizer and glycine as fuel, fumed silica as silica source. Ammonium nitrate (AN) is used as extra oxidizer. Effect of AN on Diopside phase formation is investigated. The adiabatic flame temperatures are calculated theoretically for varying amount of AN according to thermodynamic concept and correlated with the observed flame temperatures. A “Multi channel thermocouple setup connected to computer interfaced Keithley multi voltmeter 2700” is used to monitor the thermal events during the process. An interpretation based on maximum combustion temperature and the amount of gases produced during reaction for various AN compositions has been proposed for the nature of combustion and its correlation with the characteristics of as synthesized powder. These powders are characterized by XRD, SEM showing that the powders are composed of polycrystalline oxides with crystallite size of 58nm to 74nm.

  • articleOpen Access

    3-DIMENSIONAL NUMERICAL MODELING ON THE COMBUSTION AND EMISSION CHARACTERISTICS OF BIODIESEL IN DIESEL ENGINES

    A 3-dimensional computational fluid dynamics modeling is conducted on a direct injection diesel engine fueled by biodiesel using multi-dimensional software KIVA4 coupled with CHEMKIN. To accurately predict the oxidation of saturated and unsaturated agents of the biodiesel fuel, a multicomponent advanced combustion model consisting of 69 species and 204 reactions combined with detailed oxidation pathways of methyl decenoate (C11H22O2), methyl-9-decenoate (C11H20O2) and n-heptane (C7H16) is employed in this work. In order to better represent the real fuel properties, the detailed chemical and thermo-physical properties of biodiesel such as vapor pressure, latent heat of vaporization, liquid viscosity and surface tension were calculated and compiled into the KIVA4 fuel library. The nitrogen monoxide (NO) and carbon monoxide (CO) formation mechanisms were also embedded. After validating the numerical simulation model by comparing the in-cylinder pressure and heat release rate curves with experimental results, further studies have been carried out to investigate the effect of combustion chamber design on flow field, subsequently on the combustion process and performance of diesel engine fueled by biodiesel. Research has also been done to investigate the impact of fuel injector location on the performance and emissions formation of diesel engine.

  • articleOpen Access

    Combustion of Hadrons to Strange Quark Matter Inside a Neutron Star

    We have studied the phase transition from hadronic to quark matter inside neutron stars, we calculate the rate and emissivity for all the relevant weak interaction processes and solve the Boltzmann transport equation, considering the effect of strong interactions in the perturbative regime to the order of QCD coupling constant αc. We find that the neutrino and antineutrino emissivity is around of 1053 erg.

  • chapterNo Access

    Chapter 2: The Micro-physics of the Quark-nova: Recent Developments

    The Bodmer-Terazawa-Witten hypothesis of absolutely stable quark matter made of up, down, and strange quarks ((u,d,s) matter) is of much astrophysical and fundamental interest. One consequence is a large binding energy release associated with the conversion of a neutron star to a quark star. A quantitative understanding of the dynamic aspect of the conversion is necessary in order to find out whether this energy is released quietly or in an explosive manner. We address numerically (i.e. solving the reaction-diffusion-advection equations for (u,d) to (u,d,s) combustion) the dynamic processes through which the conversion appears. We find fundamentally very different results from semi-analytic calculations, with front speeds that are several orders of magnitude higher for the former. Resolving the hadronic-quark-matter interface is necessary, since approximations like Coll’s condition may quench the burning, while properly resolving the flame can make combustion always thermodynamically favourable if the hypothesis of absolutely stable strange quark matter is true. We find that lepton physics, including weak decays, electron equation-of-state (EoS), neutrino EoS, and neutrino transport are at the very least as important to the physics of the burning front as the EoS of highly dense matter. In concert, these effects induce novel wrinkling instabilities (such as the deleptonization instability) possibly leading to a deflagration-detonation and/or a quark-core collapse Quark-Nova.

  • chapterNo Access

    An adaptive finite element semi-Lagrangian Runge-Kutta-Chebyshev method for combustion problems

    We present in this paper an adaptive semi-Lagrangian Runge-Kutta-Chebyshev method in a finite element framework to integrate the combustion equations.

  • chapterNo Access

    Chapter 2: Synchrotron-Based VUV Photoionization Mass Spectrometry in Combustion Chemistry Research

    Since more than a decade, synchrotron-based methods play a major role in combustion chemistry research. This chapter focuses on the use of synchrotron-generated vacuum-ultraviolet (VUV) radiation as an ionization source in mass spectrometric applications. The use of tunable VUV radiation allows for the detection, identification, and quantification of different isomeric structures, thus adding a new dimension to mass spectrometric experiments which has not been previously accessible. In particular, this chapter highlights flame-sampling and kinetic experiments that provided new detailed insights into combustion chemistry processes. Examples are provided that are concerned with soot precursor formation and the combustion of prototypical biofuels.