Phase transitions and electrical conduction in thermal energy storage compound (n-C12H25NH3)2CdCl4

Differential scanning calorimetry (DSC) and differential thermal analysis (DTA) are performed for the compound (n-C₁₂H₂₅NH₃)₂CdCl₄. The ac conductivity σ_(ω,T), and the complex dielectric permittivity ?*_(ω,T) are measured as a function of temperature (100 K < T < 375 K) and at some selected frequencies (3 → 100 kHz). Two structural phase transitions are detected at T = (330 ± 1) K and T = (343 ± 1) K as minor and major transitions, respectively. The analysis of the measured electrical parameters reveals that the frequency-dependent conductivity obeys the power law, and the quantum mechanical tunneling (QMT) model is the main conduction mechanism in the low-temperature phase (LTP; phase III). The role of hydrogen bond N–H…Cl as a trigger force for phase transitions has been discussed. While the LTP is of the order–disorder type, the high-temperature phase (HTP) or phase I seems to be conformational and represents the main transition.     

Adsorption and corrosion inhibition of mild steel in hydrochloric acid solution by verbena essential oil

The inhibitive action of verbena essential oil (VEO) on the corrosion of mild Steel in 1 M HCl solutions in the temperature range 298 to 328 K was measured by use of the weight-loss method, potentiodynamic polarization, and electrochemical impedance spectroscopy. Results showed that VEO inhibited corrosion of C38 steel in 1 M HCl solution and that inhibition efficiency increased with increasing concentration of inhibitor but decreased proportionally with temperature. Potentiodynamic polarization studies suggested VEO is a mixed-type inhibitor, with the anodic type predominating. Nyquist plots were depressed semicircles with their centre below the real axis. Adsorption of VEO by the C38 steel surface followed the Langmuir adsorption isotherm. Kinetic data for dissolution were investigated.     

Studies on the inhibitive effect of potassium ferrocyanide on the corrosion of steel in phosphoric acid

In this work, the effect of potassium ferrocyanide (Pf) on the corrosion of mild steel in solutions of phosphoric acid (H₃PO₄) has been investigated in relation to the concentration of the inhibitor by weight loss, potentiodynamic polarization and AC impedance (EIS) measurements. The results obtained revealed that this compound is good a mixed-type inhibitor. The effect of temperature on the corrosion behavior with the addition of optimal concentration of Pf was studied in the temperature range 298–328 K. The value of inhibition efficiency decreases slightly with the increase in temperature. Changes in impedance parameters (charge transfer resistance, R _t, and double layer capacitance, C _dl) were indicative of adsorption of Pf on the metal surface, leading to the formation of a protective film. Adsorption of Pf on the C38 steel surface was found to obey the Langmuir adsorption isotherm. Some thermodynamic functions of dissolution and adsorption processes were also determined.     

Biosorption of strontium from aqueous solutions onto spent coffee grounds

A set of experiments was carried out to evaluate the strontium uptake potential of spent coffee grounds (SCG) by batch tests in aqueous medium. Adsorption of Sr²⁺ as a function of contact time and adsorbent dose, pH, particles size, agitation speed, temperature and co-ions presence was investigated. Obtained results revealed that the maximum adsorption took place at pH range of 5–8 and temperature values between 283 and 333 K. Particles size effect was not very significant and agitation speed influenced on the equilibrium time. Competitive adsorption experiments allowed us to classify the negative effect on the Sr²⁺ uptake according to this order Al³⁺ ? Co²⁺ > Mg²⁺ > Ca²⁺ ? Na⁺ > K⁺ > Cs⁺. Kinetic study indicated that the Sr²⁺ uptake was fast and it was well fitted by the pseudo second order reaction model. Adsorption isotherm was well interpreted by Langmuir model. The maximum adsorption capacity was found to be 69.01 mg g^?1 at pH 7, 293 K, particles sizes = 200–400 μm and agitation speed 250 rpm. The thermodynamic study revealed that the process was spontaneous (ΔG ⁰ < 0), exothermic (ΔH ⁰ < 0) with a raised affinity for Sr²⁺ (ΔG ⁰ < 0, ΔS ⁰ > 0) and occurred by physical adsorption (E _a = 8.37 kJ mol^?1). FTIR analysis showed carboxylic acid and amino group presence on SCG surface playing a vital role in Sr²⁺ biosorption.     

Some characterizations of a new metal–organic framework (n-C14H29NH3)2CdCl4 and the role of hydrogen bonding

A cadmium-based organic–inorganic hybrid (n-C₁₄H₂₉NH₃)₂CdCl₄ is synthesized and characterized, thermally and dielectrically. The differential scanning calorimetery (DSC) and the differential thermal analysis (DTA) thermograms were performed in a suitable range of temperature. The general feature of each thermogram indicates that the hybrid undergoes two structural phase transitions at T_major ≈ 351.5?K and T_minor ≈ 344.66?K in addition to an intermediate temperature which is located at ≈346.8?K. For further confirmation of the observed phase transitions, the complex dielectric permittivity ε* (ω,T)?=?ε′(ω,T) – iε″(ω,T) and ac conductivity σ_ac(ω,T) were accurately measured in the wide range of temperature 100?K<T<400?K at some suitable range of frequencies. The data evidenced the existence of such transitions. Comparison with other hybrids reveals the absence of the odd–even effect whereas the transition temperature increases with the increase of the chain length. The mechanism of proton transfer and kink defects was outlined.     

Ferromagnetism and ferroelectricity in Eu<Emphasis Type="Italic">X</Emphasis> (<Emphasis Type="Italic">X</Emphasis> = <Emphasis Type="Italic">O</Emphasis>, <Emphasis Type="Italic">S</Emphasis>): pressure effects

Ferromagnetism and ferroelectricity in Eu monochalcogenides have been investigated by ab initio density functional theory in the DFT+U approach. Exchange interaction parameters and Curie temperatures under pressure are studied and discussed using Heisenberg Hamiltonian with first and second-nearest-neighbor interactions. The calculations showed that the hydrostatic pressure perfectly improves the Curie temperature (EuO: T _C = 175 K; EuS: T _C = 33.8 K) and in the other hand it cannot induce the spontaneous polarization (P _s ). The effect of uniaxial and biaxial pressure is also studied. Although the uniaxial strains slightly increases the Curie temperature, it ensures the ferrolectricity in these systems by producing a spontaneous polarization of the order of P _s (EuO) = 57.50 μC/cm² and P _s (EuS) = 42.86 μC/cm² with pressures of 5% and 4%, respectively. The search for new model systems is a necessity to better understand the physics related to multiferroïc materials and to consider possible applications.     

Electron–Phonon Superconductivity in Boron-Based Chalcogenide (X= S,Se) Monolayers

Electron–phonon mediated superconductivity is deeply investigated in two boron based monolayer materials, namely, $B_{3}S$, a metal exhibiting the ability to superconduct, and a new metal, $B_{3}Se$, presenting perfect kinetic stability. Calculations based on density functional perturbation theory combined with the maximally localized Wannier function also reveal that both materials exhibit anisotropic planar hexagonal structure like graphene. The key parameters involved in the superconductor behavior are all calculated. The electronic density in the Fermi surface is given to provide the environment for enhanced electron–phonon coupling. The longitudinal and transverse vibration modes of optical phonons mainly contribute to the electron–phonon coupling strength. Furthermore, the binding energy between the bosonic Cooper pair superfluid is quantified and determined. The critical temperature for the two materials is 20 and 10.5 K, respectively. The results obtained show the potential use of such materials for superconducting applications.     

A new synthesis of alkane and polyfluoroalkanesulfonyl chlorides

This study describes a new and advantageous procedure for the synthesis of alkanesulfonyl chlorides ( 2 ) by the reaction of alkyl thiocyanates ( 1 ) with sulfuryl chloride in a mixture of acetic acid and water. The alkanesulfonyl chlorides were obtained in good yields. © 2009 Wiley Periodicals, Inc. Heteroatom Chem 20:355–361, 2009; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20559     

Catalytic dehydrogenation of natural terpenes via CuPd alloy nanoparticles generated on mesoporous graphitic carbon nitride

A facile wet-chemical protocol for the synthesis of bimetallic CuPd alloy nanoparticles (NPs) anchored on mesoporous graphitic carbon nitride (m-gCN), serving as both stabilizer and support material, was presented herein. The presented protocol allowed to synthesize nearly monodisperse CuPd alloy NPs with an average particle size of 3.9 ± 0.9 nm without use of any additional surfactants and to prepare CuPd/m-gCN nanocatalysts with different Cu/Pd compositions (Cu₂₅Pd₇₅/m-gCN, Cu₃₅Pd₆₅/m-gCN, Cu₁₆Pd₇₄/m-gCN, Cu₃₂Pd₆₈/m-gCN, Cu₁₀Pd₉₀/m-gCN, and Cu₅₀Pd₅₀/m-gCN). After the detailed characterization of CuPd/m-gCN nanocatalysts, they were utilized as catalysts in the dehydrogenation of terpenes. Among all tested nanocatalysts, Cu₅₀Pd₅₀/m-gCN showed the highest activity in terms of the product yields within the same reaction time. Various parameters influencing the catalytic activity of Cu₅₀Pd₅₀/m-gCN were studied using himachalene as a model substrate and the optimum conditions were determined. Under the optimized reaction conditions, the catalytic application of Cu₅₀Pd₅₀/m-gCN nanocatalysts was extended to nine different terpenes and the corresponding products were obtained in high conversion yields (>90%) under mild conditions. A reusability test showed that Cu₅₀Pd₅₀/m-gCN nanocatalysts can be re-used up to four cycles without significant loss in their initial activity.