Thermodynamic modeling of gas solubility in aqueous sodium chloride solution

An electrolyte Equation of State is presented by combining the Cubic Plus Association Equation of State,Mean Spherical Approximation and the Born equation.This new model uses experimental relative static permittivity,intend to predict well the activity coefficients of individual ions (ACI) and liquid densities of aqueous solutions.This new model is applied to model water + NaCl binary system and water + gas +NaCl ternary systems.The cation/anion-water interaction parameters of are obtained by fitting the exper-imental data of ACI,mean ionic activity coefficients (MIAC) and liquid densities of water + NaCl binary system.The cation/anion-gas interaction parameters are obtained by fitting the experimental data of gas solubilities in aqueous NaCl solutions.The modeling results show that this new model can correlate well with the phase equilibrium and volumetric properties.Without gas,predictions for ACI,MIAC,and liquid densities present relative average deviations of 1.3％,3.6％ and 1.4％ compared to experimental ref-erence values.For most gas-containing systems,predictions for gas solubilities present relative average deviations lower than 7.0％.Further,the contributions of ACI,and salting effects of NaCl on gases are ana-lyzed and discussed.     

Photophysical investigation of the formation of defect levels in P doped ZnO thin films

Zinc oxide (ZnO) offers a major disadvantage of asymmetry doping in terms of reliability, stability, and reproducibility of p-type doping, which is the main hindrance in realization of optoelectronic devices. The problem is even more complicated due to formation of various native defects in unintentionally doped n-type ZnO. The realization of p-type conductivity in doped ZnO requires an in-depth understanding of the formation of an effective shallow acceptor, as well as donor-acceptor compensation. Photophysical properties such as photoconductivity along with photoluminescence (PL) studies have unprecedentedly and effectively been utilized in this work to monitor the evolution of various in-gap defects. Phosphorus (P) doped ZnO thin films have been grown by RF magnetron sputtering under various Ar to O₂ gas ratios to investigate the effect of O₂ on the donor-acceptor compensation by comprehensive photoconductivity measurements supported by the PL studies. Initial elemental analyses indicate presence of abundant zinc vacancies (V_Zn) in O-rich ambience. The results predict that P sits in the zinc (Zn) site rather than the oxygen (O) site causing the formation of P_Zn–2V_Zn acceptor-like defects, which compensates the donor defects in P doped ZnO films. Photocurrent spectra uniquely reveal presence of more oxygen vacancies (V_O) defects states in lower O₂ flow, which gets compensated with an increase in the O₂ flow. Successive photocurrent transients indicate probable presence of more V_O in the films grown with lower O₂ flow and more V_Zn in higher O₂ flow. Overall the photosensitivity measurements clearly present that O-rich ambience expedites the formation of acceptor defects which are compensated, thereby lowering the dark current and enhancing the ultraviolet photosensitivity.     

Sulfur doped biocarbon obtained from Sargassum spp. for the oxygen reduction reaction

Sulfured doped carbon electrocatalysts is synthesized from the waste biomass Sargassum spp. Two doping procedures are examined to determine which is better for Oxygen Reduction Reaction (ORR); one by doping biocarbon obtained from the pyrolysis of the biomass and the second through a process of in situ doping in autoclave. The electrocatalyst are obtained from pyrolysis of the sample at 700 °C, which is finally characterized as a metal free electrocatalyst for the ORR. The electrocatalyst are characterized by BET surface area analysis, Raman spectroscopy, X-ray Photoelectron Spectroscopy (XPS) and the electrochemical characterization is determined in 0.1 M KOH. The sample SSKPT-1 exhibits a promising electrocatalytic activity with an onset potential of 0.896 V vs RHE and a current density of 5 mA cm^?2 (at 0.2 V vs. RHE) which could be partly attributed to its high BET surface area of 2755 m² g^?1.     

Carbon nanotube filter for heavy metal ion adsorption

This study investigated carbon nanotube filtration technology using catalyst particles supported on silicalite-1–biomorphic carbon materials (BCMs). Aqueous solutions of Mn(II), Cu(II), Cr(III), Cd(II), and Pb(II) were used to test the efficiency of heavy metal ions removal. Carbon nanotubes (CNTs) were synthesized and grown on BCMs by the chemical vapor deposition method catalyzed with the catalyst (Co, Fe, and Ni). The synthesized CNTs with Co– and Fe– nanoparticles were typically multi-walled carbon nanotubes, and they showed good crystallinity (I_D/I_G = 1.05) and yield of (11.10 and 8.86) %. The removal efficiency of Mn(II), Cu(II), Cr(III), Cd(II), and Pb(II) ions using Co-catalyzed CNT filter was 97.57%, 98.01%, 97.89%, 97.42%, and 99.99%, respectively.     

Structural,magnetic, thermal and optical properties of Sn2+ cation doped magnetite nanoparticles

Tin doped nanomagnetites, Sn_xFe_3-xO₄, were synthesized with various concentrations of Sn²⁺ ion (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) by co-precipitation method. XRD, VSM, TG-DTA, SEM-EDX and UV–Vis were used to characterize and study the structural, magnetic, thermal, and optical properties of Sn_xFe_3-xO₄ nanoparticles. XRD confirmed the presence of cubic structure and spinel phase of tin doped magnetites. The d-spacing, lattice parameter, density, crystallite size and cation distribution were derived from the XRD analysis. The M − H curves exhibited changes in saturation magnetization (M_s), coercive field (H_c), remanent magnetization (M_r) and susceptibility (χ), with increasing concentration of non-magnetic Sn²⁺ ions. Differential thermal analysis was used to study the thermal stability of Sn_xFe_3-xO₄ nanoparticles. The SEM images revealed the surface morphology of the nanoparticles and the EDX spectra showed an increase in the Sn content and a corresponding decrease in the Fe content for the tin doped samples. The optical bandgap was found to be centered at 3.9 eV for the synthesized materials. This systematic study may be the first comprehensive report on synthesis and characterization of tin doped magnetites.     

Microstructural and electrical changes in Ca0.9R0.1CeNbMoO8 (R = Y,Sm, Nd,La) ceramics induced by rare-earth ion doping

Rare-earth ions doped Ca_0.9R_0.1CeNbMoO₈ (R = Y, Sm, Nd, La) ceramics have been successfully prepared by solid-state method, and their modifications to the microstructure and electrical properties are also investigated. The rare-earth ions doped ceramics exhibit the scheelite structure. With the increase in the radius of rare-earth ions, the lattice distortion and bond interaction will be enhanced, and the consistency of grain size will be reduced. The ceramics exhibit negative temperature coefficient (NTC) thermistor characteristics in the temperature range of 473 K-1273 K, and the activation energy decreases with the increase of the radius of rare-earth ions. Rare-earth ions doping can increase the content of Ce³⁺ ions and promote the conductivity of ceramics. Except for Sm³⁺-doped ceramics, the high-temperature aging rate of other ceramics is less than 2%. The existence of some metastable Sm²⁺ ions in Sm³⁺-doped ceramics not only increases the activation energy, but also reduces the high-temperature stability of the ceramics.     

Rare-earth free sensitizer in NaLuCrF4:Er upconversion material

Upconversion phosphors are known as a material system that can convert near-infrared light into visible/ultraviolet emissions by sequentially absorbing multiple photons. The studies on upconversion materials often use two rare earth (RE) ions as a sensitizer-activator pair. We investigated the influences on luminescence intensity depending on Cr-doping content (x) of hexagonal NaLu_0.98–xCr_xF₄Er_0.02 (x = 0–0.9) upconversion material by substituting Lu³⁺ ions with Cr³⁺in the absence of Gd³⁺. The change in upconversion luminescence intensity appears with saddle-like shape. We suggest that Cr³⁺ ions play the dual role as a constituent in host lattice and a sensitizer in the upconversion process. Optimal conditions for gaining the strongest upconversion emission correspond to x = 0.3–0.5, where there are effective energy transfers between Cr³⁺ and Er³⁺ ions and CrEr dimers. Apart from these values, the emission intensity decreases rapidly which can be ascribed to the absence of multiple-photon absorption for the case of low Cr³⁺ contents, and to the coupling between Cr³⁺ and/or Er³⁺ ions for the case of high Cr³⁺ contents. Magnetization and electron-spin-resonant measurements were performed to understand the correlation between the optical and magnetic properties.     

Synthesis and characterization of a novel Ca-alginate-biochar composite as efficient zinc (Zn2+) adsorbent: Thermodynamics,process design,mass transfer and isotherm modeling

In this present work, Ca-alginate-biochar adsorbent has been synthesized, characterized and tested its effectiveness in the removal of aqueous phase Zn²⁺ metal. The removal efficiency was studied under various physicochemical process parameters. External mass transfer model, intraparticle diffusion model and pseudo-first-order and pseudo-second-order models were used to fit the experimental Zn²⁺ adoption kinetic results and to identify the mechanism of adsorption. The desorption studies indicate the possibilities of ion-exchange and physical–chemical adsorption of Zn^2+. The adsorption was best described by Langmuir isotherm model. Thermodynamic parameters suggested that the adsorption process becomes spontaneous, endothermic and irreversible in nature.     

Influence of Mg concentration on structural,morphological and optical properties of nanoceria

Nano crystalline pure and Mg doped ceriaparticles were synthesized by simple chemical co-precipitation method using cerium nitrate hexahydrate as a source material and magnesium nitrate as doping precursor at room temperature. The effect of doping were investigated by X-ray diffraction pattern(XRD), FT-Raman,fourier transform infrared spectroscopy(FTIR), Ultraviolet spectroscopy(UV), photoluminescence spectroscopy(PL), field emission scanning electron microscope(FESEM) and high resolution transmission electron microscopy with energy dispersive spectroscopy (HRTEM &EDS). The X-ray diffraction pattern and FT-Raman studies showed that the prepared samples were nano particulates with cubic fluorite structure. The XRD pattern analysis showed that the size of the particles ranged from 13 to 20?nm, however 4?wt% Mg doping results in reduction of particle size compared with other doping concentrations. The effects of Mg concentration on various structural parameters of the prepared samples were also determined. The slight blue shift observed upon doping in UV–Vis absorption region around 330–360nmrecorded for reduction in particle size. The FTIR unveils the presence of Metal oxygen bonds below 700?cm^?1in the prepared samples. All samples showed a broad emission band at 430?nm with linearly increasing intensity with respect to dopant concentrations. The Spherical morphology with weak agglomeration was identified through FESEM and HRTEM analysis. The elemental analysis of Ce, O and Mg were confirmed through EDS analysis.