Finely dispersed palladium on silk‐fibroin as an efficient and ligand‐free catalyst for Heck cross‐coupling reaction

A palladium–fibroin complex (Pd/Fib.) was prepared by the addition of sonicated fibroin fiber in water to palladium acetate solution. Pd (OAc)₂ was absorbed by fibroin and reduced with NaBH₄ at room temperature to the Pd(0) nanoparticles. Powder‐X‐ray diffraction, scanning electron microscopy–energy‐dispersive X‐ray spectroscopy, Fourier transform‐infrared, CHN elemental analysis and inductively coupled plasma‐atomic emission spectroscopy were carried out to characterize the Pd/Fib. catalyst. Catalytic activity of this finely dispersed palladium was examined in the Heck coupling reaction. The catalytic coupling of aryl halides (‐Cl, ‐Br, ‐I) and olefins led to the formation of the corresponding coupled products in moderate to high yields under air atmosphere. A variety of substrates, including electron‐rich and electron‐poor aryl halides, were converted smoothly to the targeted products in simple procedure. Heterogeneous supported Pd catalyst can be recycled and reused several times.     

A Modified Peng–Robinson Equation of State for Heavy Hydrocarbons

Russian Journal of Physical Chemistry A - A new simple and accurate functional form for an attractive parameter α is introduced for Peng–Robinson equation of state. The modified...     

Optimization of cadmium adsorption from aqueous solutions by functionalized graphene and the reversible magnetic recovery of the adsorbent using response surface methodology

Novel functionalized graphene adsorbent was prepared and characterized using different techniques. The prepared adsorbent was applied for the removal of cadmium ions from aqueous solution. A response surface methodology was used to evaluate the simple and combined effects of the various parameters, including adsorbent dosage, pH, and initial concentration. Under the optimal conditions, the cadmium removal performance of 70% was achieved. A good agreement between experimental and predicted data in this study was observed. The experimental results revealed of cadmium adsorption with high linearity follow Langmuir isotherm model with maximum adsorption capacity of 502 mg g^?1, and the adsorption data fitted well into pseudo‐second order model. Thermodynamic studies showed that adsorption process has exothermic and spontaneous nature. The recommended optimum conditions are: cadmium concentration of 970 mg L^?1, adsorbent dosage of 1 g L^?1, pH of 6.18, and T = 25 °C. The magnetic recovery of the adsorbent was performed using a magnetic surfactant to form a noncovalent magnetic functionalized graphene. After magnetic recovery of the adsorbent both components (adsorbent and magnetic surfactant) were recycled by tuning the surface charges through changing the pH of the solution. Desorption behavior studied using HNO₃ solution indicated that the adsorbent had the potential for reusability.     

Laminar heat transfer and fluid flow of two various hybrid nanofluids in a helical double-pipe heat exchanger equipped with an innovative curved conical turbulator

Journal of Thermal Analysis and Calorimetry - In the present study, the effect of inserting an innovative curved turbulator and utilizing two types of hybrid nanofluids on thermal performance in a...     

Complete Moment Convergence for the Dependent Linear Processes with Random Coefficients

In this paper, we investigate the complete moment convergence for dependent linear processes with random coefficients to form     

Superb catalytic properties of nickel cobalt bimetallic nanoparticles immobilized on 3D nitrogen-doped graphene for thermal decomposition of ammonium perchlorate

Research on Chemical Intermediates - Nickel cobalt bimetallic nanoparticles (NiCo NPs) with different molar ratios were stabilized over three-dimensional nitrogen-doped graphene [3D-(N)G] by a...     

Green route for selective gram‐scale oxidation of sulfides using tungstate/triazine‐based ionic liquid immobilized on magnetic nanoparticles as a phase‐transfer heterogeneous catalyst

Tungstate ions were successfully loaded onto triazine‐based ionic liquid‐functionalized magnetic nanoparticles through an anion exchange process. The use of triazine core for creating ionic liquid led to the immobilization of high amounts of WO₄^2?. The resulting catalyst showed high activity and selectivity in the oxidation of sulfides to sulfoxides with H₂O₂ as a green oxidant at room temperature. In addition, due to the presence of ammonium groups in the catalyst structure, water dispersibility of the catalyst was increased. More important, the catalyst was magnetically recovered and reused for up to six runs without any marked decrease of activity and selectivity. Finally, easy gram‐scale oxidation of methylphenyl sulfide as well as fast separation of catalyst and product makes the protocol economical and industrially applicable.     

Investigation of hydrogen and methane adsorption/separation on silicon nanotubes: a hierarchical multiscale method from quantum mechanics to molecular simulation

A combination of ab initio quantum mechanical (QM) calculations and canonical Monte Carlo (CMC) simulations are employed to investigate possible usage of single-walled silicon nanotubes (SWSiNTs) as a novel media for hydrogen and methane adsorption as well as their separation from each other. By fitting the force field, a Morse potential model is selected as an efficient potential to describe the binding energies between both hydrogen-SiNTs and methane-SiNTs obtained from ab initio calculations. Then CMC simulations are performed to evaluate the adsorption and separation behaviors of H₂ and CH₄ on the three different sizes of SiNTs including (5, 5), (7, 7), and (9, 9) SiNTs at ambient temperatures and pressures from 1 up to 10 MPa. As a comparison, the adsorption and separation of H₂ and CH₄ on the (8, 8) CNTs which are isodiameter with (5, 5) SiNTs are also simulated. Results are indicative of remarkable enhancement of H₂ and CH₄ adsorption capacity on the SiNTs compared to the CNTs, which arise from stronger van der Waals (VDW) attractions. In the case of methane adsorption on SiNTs, the stored volumetric energy exceeds the goal of the US Freedom CAR Partnership by 2010, which can not be achieved by methane compression at such low pressures. Moreover, simulation results indicate that SiNTs preferentially adsorb methane relative to hydrogen in their equimolar mixture, which results in efficient separation of these gases from each other at 293 K.