Experimental and Theoretical Studies on Synthesized Compounds as Corrosion Inhibitor for Mild Steel in Hydrochloric Acid Solution

Imidazole derivatives, namely, 1-((1-(piperazinomethyl)-1H-benzoimidazol-2-yl)methyl)-2-phenylhydrazine (PBIP), and 1-((1-(morpholinomethyl)-1H-benzoimidazol-2-yl)methyl)-2-phenylhydrazine (MBIP) were synthesized and investigated as inhibitors for mild steel corrosion in 15% HCl solution using weight loss, potentiodynamic polarization, and electrochemical impedance spectroscopy (EIS) techniques. It was found that the inhibition efficiency of both the inhibitors increases with increase in concentration of inhibitors and decreases with increase in temperature. The inhibitors, PBIP and MBIP, show corrosion inhibition efficiency of 92.6% and 91.4% at 300 ppm concentration, respectively, at 303 K. Polarization studies showed that both the studied inhibitors were of mixed type in nature. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) were performed for surface study of uninhibited and inhibited mild steel samples. The semi-empirical AM1 method was employed for theoretical calculations.     

X‐Band DNP Hyperpolarization of Viscous Liquids and Polymer Melts

NMR studies of synthetic polymers and biomacromolecules, which provide insight into the conformation and dynamics of these materials, can benefit strongly from the increased sensitivity offered by dynamic nuclear polarization (DNP) and other hyperpolarizing methods. In this study ¹H DNP nuclear spin hyperpolarization of two polybutadiene samples, representing a supercooled liquid and an entangled polymer melt, is demonstrated at 0.35 T magnetic field strength and at temperatures between −80 and +50 °C. Electron spin polarization transfer from the α,γ‐bisdiphenylene‐β‐phenylallyl radical to the sample nuclei is achieved by the Overhauser and solid effect. DNP signal enhancements are studied, varying the electron spin resonance offset, microwave power, and sample temperature. The influence of spin relaxation times, line widths, and molecular dynamics are discussed. The results show promising, up to 15‐fold NMR signal enhancements using noncryogenic temperatures and an inexpensive setup that is less technically demanding than current high‐field DNP setups.

     

Investigation of the vibrational modes of ZnO grown by MOCVD on different orientation planes

Wurtzite ZnO thin films were prepared on sapphire substrate by metal organic chemical vapor deposition (MOCVD). Raman scattering studies on different crystallographic textures were performed in the backscattering geometry, and polarization effect is investigated in different configurations and . ZnO Raman modes are investigated in each texture. In the case of ZnO thin film deposed on r‐() sapphire plane and using backscattering geometry, new Raman line was observed at 390 cm⁻¹ because this mode has not been noticed in this geometry. It is shown that the frequencies of the quasi‐phonon modes of the examined thin film are in good agreement with the theoretical values calculated within the framework of Loudon model. Copyright © 2014 John Wiley & Sons, Ltd.     

Selective switching of individual multipole resonances in single dielectric nanoparticles

Following Mie theory, nanoparticles made of a high‐refractive‐index dielectric, such as silicon, exhibit a resonator‐like behavior and very rich resonance spectra. Which electric or magnetic particle mode is excited depends on the wavelength, the refractive‐index contrast relative to the environment, and the geometry of the nanoparticle itself. In addition, the spatial structure of the impinging light field plays a major role in the excitation of the nanoparticle resonances. Here, it is shown that, by tailoring the excitation field, individual multipole resonances can be selectively addressed while suppressing the excitation of other particle modes. This enables a detailed study of selected individual resonances without interference by the other modes.

     

电化学合成聚苯胺涂层防护性能的研究

采用循环伏安法在Q235钢表面电化学合成了聚苯胺涂层,通过极化曲线评价了扫描方式、电位区间、扫描速率、循环次数等电聚合参数对聚苯胺涂层在Q235钢耐腐蚀性能方面的影响,结果表明:合成条件对聚苯胺涂层的防护性能影响显著.在0.1 mol/L苯胺+0.3 mol/L草酸溶液中,循环电位区间–0.5~1.6 V,扫速10 m V/s,连续扫描5个循环,可获得最佳防护性能.该涂层在3.5%Na Cl溶液中对Q235钢具有较好的保护作用.扫描电镜观察表明:聚苯胺膜具有颗粒状纤维状结构.     

Diffusiophoresis in suspensions of highly charged soft particles

Diffusiophoresis phenomenon of aoft particles suspended in binary electrolyte solutions is explored theoretically in this study based on the spherical cell model, focusing on the chemiphoresis component in absence of diffusion potential. Both the electrostatic and hydrodynamic aspects of the boundary confinement, or steric effect, due to the presence of neighboring particles are examined extensively under various electrokinetic conditions. Significant local extrema are found in mobility profiles expressed as functions of the Debye length in general, synchronized with the strength of the motion-inducing double layer polarization. Moreover, a seemingly peculiar phenomenon is observed that the soft particles may move faster in more concentrated suspensions. The competition between the simultaneous enhancement of the motion-inducing electric driving force and the motion-retarding hydrodynamic drag force from the boundary confinement effect of the neighboring particles is found to be responsible for it. The above findings are also demonstrated experimentally in a very recent study on the diffusiophoretic motion of soft particles through porous collagen hydrogels. The results presented here are useful in various practical applications of soft particles like drug delivery.     

Predicting ion concentration polarization and analyte stacking/focusing at nanofluidic interfaces

We report on the investigation of electropreconcentration phenomena in micro-/nanofluidic devices integrating 100 μm long nanochannels using 2D COMSOL simulations based on the coupled Poisson–Nernst–Planck and Navier–Stokes system of equations. Our numerical model is used to demonstrate the influence of key governing parameters such as electrolyte concentration, surface charge density, and applied axial electric field on ion concentration polarization (ICP) dynamics in our system. Under sufficiently extreme surface-charge-governed transport conditions, ICP propagation is shown to enable various transient and stationary stacking and counter-flow gradient focusing mechanisms of anionic analytes. We resolve these spatiotemporal dynamics of analytes and electrolyte ICP over disparate time and length scales, and confirm previous findings that the greatest enhancement is observed when a system is tuned for analyte focusing at the charge, excluding microchannel, nanochannel electrical double layer (EDL) interface. Moreover, we demonstrate that such tuning can readily be achieved by including additional nanochannels oriented parallel to the electric field between two microchannels, effectively increasing the overall perm-selectivity and leading to enhanced focusing at the EDL interfaces. This approach shows promise in providing added control over the extent of ICP in electrokinetic systems, particularly under circumstances in which relatively weak ICP effects are observed using only a single channel.     

Adatom Defect Induced Spin Polarization of Asymmetric Structures

The spin polarization of carbon nanomaterials is crucial to design spintronic devices. In this paper, the first-principles is used to study the electronic properties of two defect asymmetric structures, Cap-(9, 0)-Def [6, 6] and Cap-(9, 0)-Def [5, 6]. We found that the ground state of Cap-(9, 0)-Def [6, 6] is sextet and the ground state of Cap-(9, 0)-Def [5, 6] is quartet, and the former has a lower energy. In addition, compared with Cap-(9, 0) CNTs, the C adatom on C₃₀ causes spin polarization phenomenon and Cap-(9, 0)-Def [6, 6] has more spin electrons than Cap-(9, 0)-Def [5, 6] structure. Moreover, different adsorb defects reveal different electron accumulation. This finding shows that spin polarization of the asymmetric structure can be adjusted by introducing adatom defects.     

Hyperpolarized 13C Magnetic Resonance Imaging of Fumarate Metabolism by Parahydrogen-induced Polarization: A Proof-of-Concept in vivo Study

Hyperpolarized [1-¹³C]fumarate is a promising magnetic resonance imaging (MRI) biomarker for cellular necrosis, which plays an important role in various disease and cancerous pathological processes. To demonstrate the feasibility of MRI of [1-¹³C]fumarate metabolism using parahydrogen-induced polarization (PHIP), a low-cost alternative to dissolution dynamic nuclear polarization (dDNP), a cost-effective and high-yield synthetic pathway of hydrogenation precursor [1-¹³C]acetylenedicarboxylate (ADC) was developed. The trans-selectivity of the hydrogenation reaction of ADC using a ruthenium-based catalyst was elucidated employing density functional theory (DFT) simulations. A simple PHIP set-up was used to generate hyperpolarized [1-¹³C]fumarate at sufficient ¹³C polarization for ex vivo detection of hyperpolarized ¹³C malate metabolized from fumarate in murine liver tissue homogenates, and in vivo ¹³C MR spectroscopy and imaging in a murine model of acetaminophen-induced hepatitis.     

Characterization of Functional Groups in Estuarine Dissolved Organic Matter by DNP-enhanced 15N and 13C Solid-State NMR

Estuaries are key ecosystems with unique biodiversity and are of high economic importance. Along the estuaries, variations in environmental parameters, such as salinity and light penetration, can modify the characteristics of dissolved organic matter (DOM). Nevertheless, there is still limited information about the atomic-level transformations of DOM in this ecosystem. Solid-state NMR spectroscopy provides unique insights into the nature of functional groups in DOM. A major limitation of this technique is its lack of sensivity, which results in experimental time of tens of hours for the acquisition of ¹³C NMR spectra and generally precludes the observation of ¹⁵N nuclei for DOM. We show here how the sensitivity of solid-state NMR experiments on DOM of Seine estuary can be enhanced using dynamic nuclear polarization (DNP) under magic-angle spinning. This technique allows the acquisition of ¹³C NMR spectra of these samples in few minutes, instead of hours for conventional solid-state NMR. Both conventional and DNP-enhanced ¹³C NMR spectra indicate that the ¹³C local environments in DOM are not strongly modified along the Seine estuary. Furthermore, the sensitivity gain provided by the DNP allows the detection of ¹⁵N NMR signal of DOM, in spite of the low nitrogen content. These spectra reveal that the majority of nitrogen is in the amide form in these DOM samples and show an increased disorder around these amide groups near the mouth of the Seine.