CO Oxidation on Pd(100) Versus PdO(101)-(\sqrt{5}\times \sqrt{5})R27^{\circ}: First-Principles Kinetic Phase Diagrams and Bistability Conditions

We present first-principles kinetic Monte Carlo (1p-kMC) simulations addressing the CO oxidation reaction at Pd(100) for gas-phase conditions ranging from ultra-high vacuum to ambient pressures and elevated temperatures. For the latter technologically relevant regime there is a long-standing debate regarding the nature of the active surface. The pristine metallic surface, an ultra-thin $(\sqrt{5}\times \sqrt{5})R27^{\circ}$ PdO(101) surface oxide, and thicker oxide layers have each been suggested as the active state. We investigate these hypotheses with 1p-kMC simulations focusing on either the Pd(100) surface or the PdO(101) surface oxide and intriguingly obtain a range of (T, p)-conditions where both terminations appear metastable. The predicted bistability regime nicely ties in with oscillatory behavior reported experimentally by Hendriksen et al. (Catal Today 105:234, 2005). Within this regime we find that both surface terminations exhibit very similar intrinsic reactivity, which puts doubts on attempts to assign the catalytic function to just one active state.     

Environmental ageing studies of impact modified waste polypropylene

Toughness of rigid thermoplastic is an important mechanical property in polymer technology. In the present study, toughening of waste polypropylene (WPP) with ethylene–propylene–diene monomer (EPDM) rubber at different loading levels was carried out by melt blending at 180 °C. The EPDM-toughened WPP samples were characterized for its thermo-mechanical properties. The effect of carbon black (5 wt%) as a functional filler in WPP/EPDM to impart UV protection was also studied. The test sheets were subjected to natural weathering in variable climatic conditions for a 4-month period of time and were taken out at regular intervals for characterization. The waste PP underwent excessive degradation as the mechanical strength properties such as tensile, flexural and impact strengths were reduced drastically. On the other hand, WPP containing varying proportions of EPDM and carbon black showed better retention of strength properties. The percentage degree of crystallinity has been unusually increased after the environmental degradation due to chemi-crystallization. The impact-modified WPP which contains carbon black retained the processability even after the environmental aging. After aging, the non-stabilized systems were shown extensive change, whereas the structural integrity has been well retained of the toughened WPP containing carbon black as was evident from SEM and optical photomicroscopy.     

The HLD Study of Surfactant Partitioning for Oilfield Corrosion Inhibitors

The partitioning of corrosion inhibitor (CI) products is a measure of their potential to protect oilfield pipelines. In this paper the hydrophilic–lipophilic deviation (HLD) model is first used to quantify their partitioning in terms of the characteristic curvature (C _c,act) of a series of anionic (alkoxylated phosphate esters) and cationic (alkoxylated amines, aromatic amines, imidazoline acetates and quaternary amines) actives. This parameter is expressed over a range of pHs within which pipeline corrosion occurs. The HLD model is next used to predict the partitioning of each active from water into toluene at increased salinities. Linear mixing rules are lastly used to predict the characteristic curvature of Product A (C _c,mix) as a function of the C _c,act of a subset of actives.     

Copper(I) Bromide‐Dimethyl Sulfide‐Catalyzed Direct Sulfanylation of 4‐Hydroxycoumarins and 4‐Hydroxyquinolinones with Arylsulfonylhydrazides and Selective Fluorescence Switch‐ On Sensing of Cadmium(II) Ion in Water

An efficient protocol for the direct sulfanylation of various 4‐hydroxycoumarins and 4‐hydroxyquinolinones in good yield with arylsulfonylhydrazides as sulfanylating agents was developed via copper(I) bromide⋅dimethyl sulfide‐catalyzed S–O, S–N bond cleavage and C–S cross‐coupling reactions. A highly selective fluorescence turning‐on sensing of cadmium(II) ions in water using the synthesized 3‐sulfanyl‐4‐hydroxycoumarin derivative was also investigated.

     

On the association between poly(vinyl alcohol) and sodium dodecyl sulfate and its effect on liquid–liquid interfacial tension: A mathematical model

Association between poly(vinyl alcohol-co-vinyl acetate) copolymer (PVA) and sodium dodecyl sulfate (SDS) was studied experimentally and theoretically. It was found that, for the ethyl acetate-aqueous phase interface in which PVA was previously adsorbed, the interfacial tension (γ) increases abruptly to a maximum and then exhibits a relatively mild decay with the addition of SDS to the aqueous phase. The theoretical results indicate that vinyl acetate (VAc) segments determine γ. However, for relatively low concentrations of SDS (C_SDS), this latter plays a major role because through its association with the VAc segments it modulates the extent to which PVA is adsorbed at the interface, indirectly determining the value of γ. As C_SDS approaches to the CMC value for SDS, its influence on γ decreases because SDS tends to self-assembly rather than associates with VAc. These model predictions are consistent with experimental findings reported in the literature.     

Investigation of the Device Electrical Parameters for Homo and Hetero Junction Based TFETs

Silicon - This paper presents the analytical approximation of device physics of heterojunction based double gate (DG) Tunnel field effect transistors (TFETs) in terms of potential distribution,...     

Experimental Investigations on Microstructure,Mechanical Behavior and Tribological analysis of AA5154/SiC Composites by Stir Casting

Silicon - Aluminum metal matrix composites (MMCs) exhibit promising mechanical properties that are potential materials for the aeronautical and automotive industries. In this study,...     

Effect of Heat Treatment on Dendritic Segregation and High-Temperature Strength of Single Crystals of Ni3Al-Base Rhenium-Alloyed Intermetallic Alloys

Metal Science and Heat Treatment - The nature of stability of dendritic microsegregation of rhenium in single crystals of intermetallic (γ′ + γ) alloys based on γ′-Ni3Al...     

Linear Aliphatic Dialkynes as Alternative Linkers for Double‐Click Stapling of p53‐Derived Peptides

We investigated linear aliphatic dialkynes as a new structural class of i,i+7 linkers for the double‐click stapling of p53‐based peptides. The optimal combination of azido amino acids and dialkynyl linker length for MDM2 binding was determined. In a direct comparison between aliphatic and aromatic staple scaffolds, the aliphatic staples resulted in superior binding to MDM2 in vitro and superior p53‐activating capability in cells when using a diazidopeptide derived from phage display. This work demonstrates that the nature of the staple scaffold is an important factor that can affect peptide bioactivity in cells.