Chloroform Hydrodechlorination on Palladium Surfaces: A Comparative DFT Study on Pd(111), Pd(100), and Pd(211)

Topics in Catalysis - Palladium has been shown to be an effective catalyst for chloroform hydrodechlorination, which serves as a promising treatment method for industrial chloroform waste. To...     

Electrical conductivity in iodine-doped ethyl cellulose

The electrical conductivity of solution-grown ethyl cellulose (EC) films, 5–30 μm thick, has been studied in the sandwich configuration (metal–EC–metal) as a function of iodine concentration from 0.5 to 5.0 wt% ratio. The studies were conducted in the temperature range 333–383 K, while the field was varied over the range (3.0–5.5) × 10⁴V/cm. Aluminium was used as the lower electrode, while the upper electrode was of Al, Ag, Cu, Au or Sn. Certain transient effects such as a large burst of current immediately after the application of field were observed. An attempt was made to identify the nature of the current by comparing the observed dependence on electric field, electrode material and temperature with the respective characteristic features of the existing theories of electrical conduction. The results show that the electrical conduction follows Ohm's law at lower fields, while at higher fields, space-charge limited current (SCLC) was observed. It was also found that Richardson–Schottky emission was responsible, to some extent, for the transport of charge carriers in the polymer. The conductivity of the films increased on doping with iodine. The dopant molecules are considered to act as additional trapping centes and provide links between the polymer molecules in the amorphous region, thus resulting in the formation of charge transfer complexes.     

CARD: A Contact-based Architecture for Resource Discovery in Wireless Ad Hoc Networks

Traditional protocols for routing in ad hoc networks attempt to obtain optimal or shortest paths, and in doing so may incur significant route discovery overhead. Such approaches may be appropriate for routing long-lived transfers where the initial cost of route discovery may be amortized over the life of the connection. For short-lived connections, however, such as resource discovery and small transfers, traditional shortest path approaches may be quite inefficient. In this paper we propose a novel architecture, CARD, for resource discovery in large-scale wireless ad hoc networks. Our mechanism is suitable for resource discovery as well as routing very small data transfers or transactions in which the cost of data transfer is much smaller than the cost of route discovery. Our architecture avoids expensive mechanisms such as global flooding and complex hierarchy formation and does not require any location information. In CARD resources within the vicinity of a node, up to a limited number of hops, are discovered using a proactive scheme. For resources beyond the vicinity, each node maintains a few distant nodes called contacts. Contacts help in creating a small world in the network and provide an efficient way to query for distant resources. Using contacts, the network view (or reachability) of the nodes increases, reducing the discovery overhead and increasing the success rate. On the other hand, increasing the number of contacts also increases control overhead. We study such trade-off in depth and present mechanisms for contact selection and maintenance that attempt to increase reachability with reduced overhead. Our schemes adapt gracefully to network dynamics and mobility using soft-state periodic mechanisms to validate and recover paths to contacts. Our simulation results show that CARD is scalable and can be configured to provide desirable performance for various network sizes. Comparisons with other schemes show overhead savings reaching over 93% (vs. flooding) and 80% (vs. bordercasting or zone routing) for high query rates in large-scale networks.     

The generalized Kuhn model of linear viscoelasticity

We propose a generalization of the Kuhn model of linear viscoelasticity. This generalization, which has four material parameters, is able to provide a near frequency independent response over a wide range of frequencies. It is useful for highly dissipative materials such as asphalt concrete. It is derived by generalizing Lubliner and Panoskaltsis’s modified Kuhn model, but we also show that it is closely related to fractional derivative models. We show that the model admits a rheological approximation, that is, an approximation by classical springs and dashpots. The model and rheological representation are compared to experimental data.     

A bi-criteria model for the inventory aggregation problem under risk pooling

Inventory aggregation, also called Risk Pooling, is one of the most efficient ways to reduce the level of safety stocks thereby reducing inventory across the supply chain. Determining the best level of aggregation is a difficult problem and needs extensive study of all the possible scenarios that can affect this decision. Minimizing costs in a supply chain is no longer the sole priority of businesses. Maintaining a high level of responsiveness is also considered equally important. The conflicting nature of these two criteria makes the solution of the problem difficult. In this paper, we develop a bi-criteria nonlinear stochastic integer programming model to determine the best supply chain distribution network to meet customer demands, where minimizing costs while maintaining high levels of responsiveness is important. We develop a two-stage optimization algorithm to solve this problem.     

Electrical conduction in non-metallic rare-earth solids

Schematic energy band diagrams for the genesis of charge carriers in non-metallic rare-earth solids have been presented. It has been shown that positions of 4f bands have significant effect on the genesis and nature of charge carriers, their conduction mechanism and magnitude of electrical conductivity () and Seebeck coefficient (S) of the solid. Relevant relations have been given for both and S in different situations. Experimental data on rare-earth sesquioxides (R₂O₃), rare-earth tungstates [R₂(WO₄)₃] and rare-earth molybdates [R₂(MoO₄)₃] in the intrinsic range have been explained as examples for the validity of energy band diagrams.     

Structural drivers controlling sulfur solubility in alkali aluminoborosilicate glasses

If the direct feed approach to vitrify the Hanford's tank waste is implemented, the low activity waste (LAW) will comprise higher concentrations of alkali/alkaline-earth sulfates than expected under the previously proposed vitrification scheme. To ensure a minimal impact of higher sulfate concentrations on the downstream operations and overall cost of vitrification, advanced glass formulations with enhanced sulfate loadings (solubility) are needed. While, the current sulfate solubility predictive models have been successful in designing LAW glasses with sulfate loadings <2 wt.%, it will be difficult for them to design glass compositions with enhanced loadings due to our limited understanding of the fundamental science governing these processes. In this pursuit, this article unearths the underlying compositional and structural drivers controlling the sulfate solubility in model LAW glasses. It has been shown that the preferentially removes non-framework cations from the modifier sites in the silicate network, thus, leading to the polymerization in the glass network via the formation of ring-structured borosilicate units. Furthermore, though the sulfate solubility slightly decreases with increasing Li⁺/Na⁺ in the glasses, the prefers to be charge compensated by Na⁺, as it is easier for to break Na–O bonds instead of Li–O bonds.     

Bioenergy,food security and poverty reduction: trade-offs and synergies along the water–energy–food security nexus

This article provides a review of trade-offs and synergies of bioenergy within the water–energy–food security nexus, with emphasis on developing countries. It explores the links of bioenergy with food security, poverty reduction, environmental sustainability, health, and gender equity. It concludes that applying the nexus perspective to analyses of bioenergy widens the scope for achieving multiple-win outcomes along the above aspects.