Crotonaldehyde hydrogenation on Rh supported catalysts

The vapor-phase hydrogenation of crotonaldehyde on Rh supported catalysts has been studied. The effect of some variables of preparation in catalysts prepared by the sol-gel and impregnation methods on the surface and catalytic properties were analyzed. It was found, that the porosity of the support has a small effect on the selectivity to the unsaturated alcohol and the presence of partially reducible supports such as ZrO2 and TiO2, may increase the selectivity to crotyl alcohol via an enhancement of the polarization of the C=O bond as a result of surface decoration of the metal component. The presence of chlorine ions in the metal-support interfacial region, also allows, in a certain extension, a polarization of the carbonyl bond.Se estudió la hidrogenación en fase vapor de crotonaldehído sobre catalizadores de Rh soportados. Se analizó la influencia de diferentes variables de preparación de catalizadores obtenidos por el método sol-gel y por impregnación. Se encontró que la porosidad del soporte tiene sólo un pequeño efecto sobre la selectividad hacia el alcohol insaturado y que la presencia de soportes parcialmente reducibles como ZrO2 y TiO2 pueden incrementar la selectividad hacia el alcohol crotílico a través de un aumento de la polarización del enlace C=O como consecuencia de una decoración superficial del componente metálico. Adicionalmente, la presencia de iones cloruro en la interfase metal-soporte, también contribuyen en alguna medida a la polarización del enlace carbonílico.The authors thank CONICYT (Chile, FONDECYT Grants 1980345 and 2990065 and CSIC-CONICYT Collaboration Program) for their financial support.Peer reviewe

ICESTARS : integrated circuit/EM simulation and design technologies for advanced radio systems-on-chip

ICESTARS solved a series of critical issues in the currently available infrastructure for the design and simulation of new and highly-complex Radio Frequency (RF) front ends operating beyond 10 and up to 100 GHz. Future RF designs demand an increasing blend of analog and digital functionalities. The super and extremely high frequency (SHF, 3-30GHz, and EHF, 30-300GHz) ranges will be used to accomplish future demands for higher capacity channels. With todays frequency bands of approximately 1 to 3 GHz it is impossible to realize extremely high data transfer rates. Only a new generation of CAD and EDA tools will ensure the realization of complex nanoscale designs. It necessitates both new modeling approaches and new mathematical solution procedures for differential equations with largely differing time scales, analysis of coupled systems of DAEs (circuit equations) and PDEs (Maxwell equations for electromagnetic couplings) plus numerical simulations with mixed analog and digital signals. In ICESTARS new techniques and mathematical models working in highly integrated environments were developed to resolve this dilemma. The ICESTARS research area covered the three domains of RF design: (1) time-domain techniques, (2) frequency-domain techniques, and (3) EM analysis and coupled EM circuit analysis. The ICESTARS consortium comprised two industrial partners (NXP Semiconductors, Infineon Technologies AG), two SMEs (Magwel, AWR-APLAC) and five universities (Upper Austria, Cologne, Oulu, Wuppertal, Aalto), involving mathematicians, electronic engineers, and software engineers

Systems of Differential Algebraic Equations in Computational Electromagnetics

Starting from space-discretisation of Maxwell's equations, various classical formulations are proposed for the simulation of electromagnetic fields. They differ in the phenomena considered as well as in the variables chosen for discretisation. This contribution presents a literature survey of the most common approximations and formulations with a focus on their structural properties. The differential-algebraic character is discussed and quantified by the differential index concept