Computational Fluid Dynamics of Catalytic Reactors

Today, the challenge in chemical and material synthesis is not only the development of new catalysts and supports to synthesize a desired product, but also the understanding of the interaction of the catalyst with the surrounding flow field. Computational Fluid Dynamics or CFD is the analysis of fluid flow, heat and mass transfer and chemical reactions by means of computer-based numerical simulations. CFD has matured into a powerful tool with a wide range of applications in industry and academia. From a reaction engineering perspective, main advantages are reduction of time and costs for reactor design and optimization, and the ability to study systems where experiments can hardly be performed, e.g., hazardous conditions or beyond normal operation limits. However, the simulation results will always remain a reflection of the uncertainty in the underlying models and physicochemical parameters so that in general a careful experimental validation is required. This chapter introduces the application of CFD simulations in heterogeneous catalysis. Catalytic reactors can be classified by the geometrical design of the catalyst material (e.g. monoliths, particles, pellets, washcoats). Approaches for modeling and numerical simulation of the various catalyst types are presented. Focus is put on the principal concepts for coupling the physical and chemical processes on different levels of details, and on illustrative applications. Models for surface reaction kinetics and turbulence are described and an overview on available numerical methods and computational tools is provided

Incremental Backward Change Propagation of View Models by Logic Solvers

View models are key concepts of domain-specific modeling to provide task-specific focus (e.g., power or communication architecture of a system) to the designers by highlighting only the relevant aspects of the system. View models can be specified by unidirectional forward transformations (frequently captured by graph queries), and automatically maintained upon changes of the underlying source model using incremental transformation techniques. However, tracing back complex changes from one or more abstract view to the underlying source model is a challenging task, which, in general, requires the simultaneous analysis of transformation specifications and well-formedness constraints to create valid changes in the source model. In this paper we introduce a novel delta-based backward transformation technique using SAT solvers to synthetize valid and consistent change candidates in the source model, where only forward transformation rules are specified for the view models

Solving Constraints in Model Transformations

Constraint programming holds many promises for model driven software development (MDSD). Up to now, constraints have only started to appear in MDSD modeling languages, but have not been properly reflected in model transformation. This paper introduces constraint programming in model transformation, shows how constraint programming integrates with QVT Relations - as a pathway to wide spread use of our approach - and describes the corresponding model transformation engine. In particular, the paper will illustrate the use of constraint programming for the specification of attribute values in target models, and provide a qualitative evaluation of the benefit drawn from constraints integrated with QVT Relations

Light-enhanced Charge Density Wave Coherence in a High-Temperature Superconductor

In high-T$_{C}$ cuprates, superconductivity and charge density waves (CDW) are competitive, yet coexisting orders. To understand their microscopic interdependence a probe capable of discerning their interaction on its natural length and time scales is necessary. Here we use ultrafast resonant soft x-ray scattering to track the transient evolution of CDW correlations in YBa$_{2}$Cu$_{3}$O$_{6+x}$ following the quench of superconductivity by an infrared laser pulse. We observe a picosecond non-thermal response of the CDW order, characterized by a large enhancement of spatial coherence, nearly doubling the CDW correlation length, while only marginally affecting its amplitude. This ultrafast snapshot of the interaction between order parameters demonstrates that their competition manifests inhomogeneously through disruption of spatial coherence, and indicates the role of superconductivity in stabilizing topological defects within CDW domains.Comment: 29 pages, 9 figures, Main text and Supplementary Material

Enhanced charge density wave coherence in a light-quenched, high-temperature superconductor

Superconductivity and charge density waves (CDWs) are competitive, yet coexisting, orders in cuprate superconductors. To understand their microscopic interdependence, a probe capable of discerning their interaction on its natural length and time scale is necessary. We use ultrafast resonant soft x-ray scattering to track the transient evolution of CDW correlations in YBa2Cu3O6+x after the quench of superconductivity by an infrared laser pulse. We observe a nonthermal response of the CDW order characterized by a near doubling of the correlation length within ≈1 picosecond of the superconducting quench. Our results are consistent with a model in which the interaction between superconductivity and CDWs manifests inhomogeneously through disruption of spatial coherence, with superconductivity playing the dominant role in stabilizing CDW topological defects, such as discommensurations

PERSPECTIVAS DEL PROCESO DE GLOBALIZACIÓN Y SU INFLUENCIA SOBRE LOS DERECHOS HUMANOS ECONÓMICOS, SOCIALES Y CULTURALES

El escenario internacional se encuentra en constante transformación debido a lo que se ha denominado el proceso de “globalización”. Este afecta las relaciones internaciones interestatales e influye en la vida cotidiana de los individuos. El Derecho Internacional y más específicamente el Derecho Internacional de los Derechos Humanos no es ajeno a este proceso. La investigación afirma que nos encontramos frente a una etapa de transnacionalización de los Derechos Humanos, que permite que los individuos cuenten con mayor protección en ámbitos supranacionales. También hace especial mención a los derechos Económicos Sociales y Culturales, analiza el debate sobre el pluralismo jurídico y la eficacia diferencial. En la metodología empleada se revisan fuentes documentales y se realiza un análisis de algunos derechos particulares previstos en el Pacto de Derechos Económicos, Sociales y Culturales. Los planteamientos permiten afirmar que el proceso de globalización ha determinado la transnacionalización de los Derechos Humanos, surgiendo de dicho fenómeno consecuencias positivas y negativas en cuanto a su cumplimiento

Study of ultra-low emittance design for SPEAR3 *

Since its 2003 construction, the SPEAR3 synchrotron light source at SLAC has continuously improved its performance by raising beam current, top-off injection, small alpha and smaller emittance. This makes SPEAR3 one of the most productive light sources in the world. Now to further enhance the operation of SPEAR3, we are looking into the possibility of converting SPEAR3 to a multi-bend achromat storage ring within its site constraint