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Opis: The present work employs time series analysis, a proven powerful mathematical tool, for investigating the complex molecular dynamics of the thermal lens (TL) system induced by the duty cycle (C) variation. For intensity modulation, TL spectroscopy commonly uses optical choppers. The TL formation involves complex molecular dynamics that vary with the input photothermal energy, which is implemented by varying the duty cycle of the chopper. The molecular dynamics is studied from the fractal dimension (D), phase portrait, sample entropy (S), and Hurst exponent (H) for different duty cycles. The increasing value of C is found to increase D and S, indicating that the system is becoming complex and less deterministic, as evidenced by the phase portrait analysis. The value of H less than 0.5 conforms the evolution of the TL system to more anti-persistent nature with C. The increasing value of C increases the enthalpy of the system that appears as an increase in full width at half maximum of the refractive index profile. Thus the study establishes that the sample entropy and thermodynamic entropy are directly related.
Ključne besede: Time series analysis Fractal analysis Photothermal lens spectroscopy Fractal dimension Hurst exponent Sample entropy
Objavljeno v RUNG: 05.07.2022; Ogledov: 2792; Prenosov: 0
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Opis: Background: Ayurvedic medicinal oils traditionally prepared by blending herbal extracts in different compositions are commonly used for treatment and improving health. The estimation of the thermal properties of medicinal oils is essential for practical applications. Objective: The present work aims to expound the ability of medicinal oils for the acclimatization of body temperature by determining its thermal diffusivity and thereby providing a validation to the traditional knowledge. Materials and methods: The medicinal oils are prepared by incorporating black pepper (Piper nigrum), aloe vera (Aloe barbadensis), hibiscus bud (Hibiscus rosa-sinensis) and Ocimum sanctum in coconut oil base. The samples are subjected to thermal diffusivity study using the mode-mismatched dual-beam thermal lens technique. Results: The study reveals that the incorporation of black pepper (Piper nigrum), having hot potency (Ushna veerya), to the base fluid lowers the thermal diffusivity value, suggesting its potential in heat-trapping. The addition of aloe vera (Aloe barbadensis), hibiscus bud (Hibiscus rosa-sinensis), and O. sanctum dissipates heat energy quickly, thus increases the thermal diffusivity of coconut oil revealing a cold potency (Sheeta veerya). The study provides a validation for traditional knowledge and delineates the possiblity of thermal diffusivity tuning of the base fluids. Conclusion: The thermal diffusivity tuning through incorporation of herbal extracts can effectively be used to acclimatize the human body temperature with the surroundings. A higher thermal diffusivity value induces a cooling effect and the lower value causes heating effect. This, opens up the possibility of using thermally tuned oils depending on climate and geographical location.
Ključne besede: Ayurveda, Acclimatization, Medicinal oils, Thermal lens spectroscopy Thermal diffusivity
Objavljeno v RUNG: 04.07.2022; Ogledov: 2242; Prenosov: 0
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Opis: X-ray Raman spectroscopy (XRS) is an emerging spectroscopic technique that utilizes inelastic scattering of hard Xrays to study X-ray absorption edges of low Z elements in bulk material. It was used to identify and quantify the amount of carbonyl bonds in a cathode sample, in order to track the redox reaction inside metal−organic batteries during the charge/ discharge cycle. XRS was used to record the oxygen K-edge absorption spectra of organic polymer cathodes from different multivalent metal−organic batteries. The amount of carbonyl bond in each sample was determined by modeling the oxygen K-edge XRS spectra with the linear combination of two reference compounds that mimicked the fully charged and the fully discharged phases of the battery. To interpret experimental XRS spectra, theoretical calculations of oxygen K-edge absorption spectra based on density functional theory were performed. Overall, a good agreement between the amount of carbonyl bond present during different stages of battery cycle, calculated from linear combination of standards, and the amount obtained from electrochemical characterization based on measured capacity was achieved. The electrochemical mechanism in all studied batteries was confirmed to be a reduction of double carbonyl bond and the intermediate anion was identified with the help of theoretical calculations. X-ray Raman spectroscopy of the oxygen K-edge was shown to be a viable characterization technique for accurate tracking of the redox reaction inside metal−organic batteries.
Ključne besede: X-ray Raman spectroscopy, meta-organic batteries, oxygen K-edge XANES, electrochemical processes
Objavljeno v RUNG: 24.03.2022; Ogledov: 3004; Prenosov: 22
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Ključne besede: Binding energy, Calculations, Core levels, Electronic structure, Ionization of gases, Ionization potential, Molecular orbitals, Photoelectron spectroscopy, Photoelectrons, Photoemission, Photoionization, Photons, Polycyclic aromatic hydrocarbons, X rays
Objavljeno v RUNG: 21.01.2022; Ogledov: 3363; Prenosov: 0
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Opis: X-ray absorption spectroscopy (XAS) is a powerful tool for characterisation of local structure and chemical state of selected elements in different new functional materials and biological or environmental samples. The XAS spectroscopy is based on extremely bright synchrotron radiation X-rays sources, which allow precise characterisation of bulk, nanostructured or highly diluted samples. The rapid development of extremely bright synchrotron sources of X-ray and ultraviolet light in recent years has opened new possibilities for research of matter at the atomic or molecular level, indispensable in the development of new functional nanostructured materials with desired properties. The lecture will present the possibilities offered by X-ray absorption spectroscopy with synchrotron light for ex-situ and in-situ or operando characterization of various functional porous and other nanomaterials before, after and during their operation. With the operando micro-XANES and EXAFS methods it is possible to track changes in the valence states and local structures of selected elements in different energy storage materials or in various (photo)catalysts, during chemical reactions under controlled reaction conditions, thus gaining insight into the dynamic functional properties and reaction mechanisms of these materials. New synchrotron light sources also opened the possibility of combining X-ray absorption or emission spectroscopy and microscopy with a resolution of up to a few tens of nanometres, crucial for analysis of environmental and biological samples on sub-cellular level, to understand the mechanisms of uptake, transport, accumulation, and complexation of metal cations on subcellular level in various plant tissues or accumulation in environment, to develop effective remediation approaches.
Ključne besede: X-ray absorption spectroscopy, EXAFS, XANES, synchrotron radiation sources, operando
Objavljeno v RUNG: 15.12.2021; Ogledov: 3457; Prenosov: 0
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