Escaping undesired gas-phase chemistry: Microwave-driven selectivity enhancement in heterogeneous catalytic reactors

Research in solid-gas heterogeneous catalytic processes is typically aimed toward optimization of catalyst composition to achieve a higher conversion and, especially, a higher selectivity. However, even with the most selective catalysts, an upper limit is found: Above a certain temperature, gas-phase reactions become important and their effects cannot be neglected. Here, we apply a microwave field to a catalyst-support ensemble capable of direct microwave heating (MWH). We have taken extra precautions to ensure that (i) the solid phase is free from significant hot spots and (ii) an accurate estimation of both solid and gas temperatures is obtained. MWH allows operating with a catalyst that is significantly hotter than the surrounding gas, achieving a high conversion on the catalyst while reducing undesired homogeneous reactions. We demonstrate the concept with the CO 2 -mediated oxidative dehydrogenation of isobutane, but it can be applied to any system with significant undesired homogeneous contributions

New classes of stable exact solutions for a nonlinear rotational DNA model

We consider a system of two coupled nonlinear partial differential equations for describing the rotational motions of bases in both polynucleotide chains of the DNA molecule. The model was proposed by L.V. Yakushevich and it is well known that the model supports, for some operating regimes, traveling wave solutions as kink–(antikink) soliton solutions. We have tried to make some progress by performing an analysis of the classical symmetries of this model. Our study shows that the model does not have enough symmetries as to reduce the equations to ordinary differential equations. Nevertheless, the known symmetries have been useful for finding several classes of exact solutions, by imposing adequate Ansätze. Some of them are kink–(antikink) like solutions, but other ones are not traveling wave solutions. For some of the new solutions, we have carried out a qualitative study and analyzed some stability properties. We think that they could be significant for the description of the DNA molecule as well as for some other applications.DGYCYT project MTM2006-05031Junta de Andalucía FQM 201. P06-FQM-0144

Effect of mix design inputs, curing and compressive strength on the durability of Na2SO4-activated high volume fly ash concretes

This paper aims to advance research on the use in concrete of a high volume of fly ash, with a high loss on ignition value, aiding in sustainable low carbon footprint construction. To this end, the work explores the benefits that may be achieved in terms of long-term concrete performance from the incorporation of fly ash along with a chemical activator. Durability tests are performed on concrete with an activated hybrid cementitious system: Portland cement (PC) and high volume fly ash with sodium sulfate. The chloride diffusion coefficient significantly decreased over time for the activated system (50% PC - 50% fly ash with added sodium sulfate) compared to the control samples (100% PC and 80% PC - 20% fly ash) at the same water to cementitious material ratio. This behavior is particularly evident in samples cured under controlled laboratory conditions (100% RH and 23 °C). However, outdoor curing increases the permeability for all concretes. Long term carbonation is also investigated under natural exposure conditions, and samples that are cured outdoors exhibit a significant carbonation depth. The compressive strength is correlated with the durability parameters: the durability performance improves as the compressive strength increases, indicating that as is the case for Portland cement (but not always for alkali-activated binders), the microstructural factors which yield high strength are also contributing to durability properties

Root microbiome modulates plant growth promotion induced by low doses of glyphosate

Glyphosate is a commonly used herbicide with a broad action spectrum. However, at sublethal doses, glyphosate can induce plant growth, a phenomenon known as hormesis. Most glyphosate hormesis studies have been performed under microbe-free or reduced-microbial-diversity conditions; only a few were performed in open systems or agricultural fields, which include a higher diversity of soil microorganisms. Here, we investigated how microbes affect the8 hormesis induced by low doses of glyphosate. To this end, we used Arabidopsis thaliana and a well-characterized synthetic bacterial community of 185 strains (SynCom) that mimics the root-associated microbiome of Arabidopsis. We found that a dose of 3.6 x 10-6 g acid equivalent/liter (low dose of glyphosate, or LDG) produced an ~14% increase in the shoot dry weight (i.e., hormesis) of uninoculated plants. Unexpectedly, in plants inoculated with the SynCom, LDG reduced shoot dry weight by 17%. We found that LDG enriched two Firmicutes and two Burkholderia strains in the roots. These specific strains are known to act as root growth inhibitors (RGI) in monoassociation assays. We tested the link between RGI and shoot dry weight reduction in LDG by assembling a new synthetic community lacking RGI strains. Dropping RGI strains out of the community restored growth induction by LDG. Finally, we showed that individual RGI strains from a few specific phyla were sufficient to switch the response to LDG from growth promotion to growth inhibition. Our results indicate that glyphosate hormesis was completely dependent on the root microbiome composition, specifically on the presence of root growth inhibitor strains

Bending and Free Vibration Analysis of Functionally Graded Plates via Optimized Non-polynomial Higher Order Theories

Optimization concept in the context of shear deformation theories was born for the development of accurate models to study the bending problem of structures. The present study seeks to extend such an approach to the dynamic analysis of plates. A compact and unified formulation with non-polynomial shear strain shape functions (SSSFs) is employed to develop a static and free vibration analysis of simply supported functionally graded plates. In this context, three new non-polynomial displacement fields are proposed using trigonometric and hyperbolic SSSFs. Then, the non-polynomial SSSFs are optimized by varying the arguments of the trigonometric and hyperbolic functions. Additionally, the Mori-Tanaka approach is used to estimate the effective properties of the functionally graded plates. The Principle of Virtual Displacement (PVD) and the Hamilton’s Principle along with the Navier closed-form solution technique are used to obtain exact results. The obtained numerical results are in a good agreement with 3D and 2D higher order shear deformation theory solutions available in the literature

Comparison of Microstructures and Mechanical Properties for Solid Cobalt-Base Alloy Components and Biomedical Implant Prototypes Fabricated by Electron Beam Melting

The microstructures and mechanical behavior of simple, as-fabricated, solid geometries (with a density of 8.4 g/cm3), as-fabricated and fabricated and annealed femoral (knee) prototypes all produced by additive manufacturing (AM) using electron beam melting (EBM) of Co-26Cr-6Mo-0.2C powder are examined and compared in this study. Microstructures and microstructural issues are examined by optical metallography, SEM, TEM, EDS, and XRD while mechanical properties included selective specimen tensile testing and Vickers microindentation (HV) and Rockwell C-scale (HRC) hardness measurements. Orthogonal (X-Y) melt scanning of the electron beam during AM produced unique, orthogonal and related Cr23C6 carbide (precipitate) cellular arrays with dimensions of ~2μm in the build plane perpendicular to the build direction, while connected carbide columns were formed in the vertical plane, parallel to the build direction.Mechanical Engineerin

Microstructure Architecture Development in Metals and Alloys By Additive Manufacturing Using Electron Beam Melting

The concept of materials with controlled microstructural architecture (MCMA) to develop and fabricate structural materials with novel and possibly superior properties and performance characteristics is a new paradigm or paradigm extension for materials science and engineering. In the conventional materials science and engineering paradigm, structure (microstructure), properties, processing, and performance features are linked in the development of desirable materials properties and performance through processing methodologies which manipulate microstructures. For many metal or alloy systems, thermomechanical treatment combining controlled amounts of plastic deformation with heat treatment or aging cycles can achieve improved mechanical properties beyond those attainable by conventional processing alone (such as rolling or forging for example) through controlled microstructure development. In this paper we illustrate a new concept involving the fabrication of microstructural architectures by the process development and selective manipulation of these microstructures ideally defining material design space. This allows for the additional or independent manipulation of material properties by additive manufacturing (AM) using electron beam melting (EBM). Specifically we demonstrate the novel development of a carbide (M23C6) architecture in the AM of a Co-base alloy and an oxide (Cu2O) precipitate-dislocation architecture in the AM of an oxygen-containing Cu. While more conventional processing can produce various precipitate microstructures in these materials, EBM produces spatial arrays of precipitate columns or columnar-like features often oriented in the build direction. These microstructural architectures are observed by optical microscopy and scanning and transmission electron microscopy. Prospects for EBM architecture development in precipitation-hardenable Al alloys is also discussed. In the EBM build process using precursor powders, the electron beam parameters (including beam focus, scan speed and sequencing) produce localized, requisite thermodynamic regimes which create or organize the precipitate-related spatial arrays. This feature demonstrates the utility of AM not only in the fabrication of complex components, but also prospects for selective property design using CAD for MCMA development: a new or extended processing-microstructure-property-performance paradigm for materials science and engineering in advanced manufacturing involving solid free-form fabrication (SFF).Mechanical Engineerin

Ferromagnetic transition in a double-exchange system

We study ferromagnetic transition in three-dimensional double-exchange model. The influence of strong spin fluctuations on conduction electrons is described in coherent potential approximation. In the framework of thermodynamic approach we construct for the system "electrons (in a disordered spin configuration) + spins" the Landau functional, from the analysis of which critical temperature of ferromagnetic transition is calculated.Comment: 4 pages, 1 eps figure, LaTeX2e, RevTeX. References added, text change

Application of Model-driven engineering to multi-agent systems: a language to model behaviors of reactive agents

Many users of multi-agent systems (MAS) are very commonly disinclined to model and simulate using current MAS platforms. More specifically, modeling the dynamics of a system (in particular the agents' behaviors) is very often a challenge to MAS users. This issue is more often observed in the domain of socio-ecological systems (SES), because SES domain experts are rarely programmers. Indeed, the majority of MAS platforms were not conceived taking into consideration domain-experts who are non-programmers. Most current MAS tools are not dedicated to SES, or nor do they possess an easily understandable formalism to represent the behaviors of agents. Moreover, because it is platform-dependent, a model realized in a given MAS platform cannot be properly used on another platform due to incompatibility between MAS platforms. To overcome these limitations, we propose a domain-specific language (DSL) to describe the behaviors of reactive agents, regardless of the MAS platform used for simulation. To achieve this result, we used model-driven engineering (MDE), an approach that provides tools to develop DSLs from a meta-model (abstract syntax), textual editors with syntax highlighting (for the concrete syntax) and code generation capabilities (for source-code generation of a model). As a result, we implemented a language and a textual editor that allow SES domain experts to describe behaviors in three different ways that are close to their natural expression: as equations when they are familiar with these, as a sequence of activities close to natural language or as an activity diagram to represent decisions and a sequence of behaviors using a graphic formalism. To demonstrate interoperability, we also developed code generators targeting two different MAS platforms (Cormas and Netlogo). We tested the code generators by implementing two SES models with the developed DSL. The generated code was targeted to both MAS platforms (Cormas and Netlogo), and successfully simulated in one of them. We conclude that the MDE approach provides adequate tools to develop DSL and code generators to facilitate MAS modeling and simulation by non-programmers. Concerning the DSL developed, although the behavioral aspect of MAS simulation is part of the complexity of modeling in MAS, there are still other essential aspects of model and simulation of MAS that are yet to be explored, such as model initialization and points of view on the model simulated worl

Optimizacion del diseino de una red de distribucion de agua potable

En el presente reporte se present an los resultados obtenidos por el grupo de trabajo que estudio el problema de disenar de manera optima, una red de distribucion de agua potable. Esencialmente se discuten dos clases de estrategias. En primer lugar, aquellas cuya finalidad es reducir significativamente los recursos computacionales requeridos por los algoritmos im- plementados por el IMTA. Estos algoritmos son de caracter heuristico y generan una solucion factible que no es optima. En ciertos casos se sabe que las soluciones obtenidas por dichos algoritmos estan relativamente lejos del optima y no son aceptables desde el punto de vista del disenador. La segunda clase de estrategias propuestas, esta destinada precisamente a aliviar este problema. Se sugieren tecnicas originadas en optimizacion continua yen flujo en redes