Molecular dynamics simulation of an activated transfer reaction in zeolites

The activated transfer of a light particle between two heavier species in the micropores of silicalite and ZK4 zeolites has been studied through molecular dynamics (MD) simulations. A three-body potential controls the exchange of the light particle between the heavier ones; an effective barrier of a few kBT separates the two stable regions corresponding to symmetric "reactant" and "product" species. Harmonic forces always retain the reactants at favorable distances so that in principle only the energetic requirement must be fulfilled for the transfer to occur. The rate constant for the process (obtained from a correlation analysis of equilibrium MD trajectories) decreases by more than one order of magnitude when the barrier height is increased from 2kBT to 5kBT following an Arrhenius-type behavior. The transfer rates are always lower in ZK4. When the reaction is studied in a liquid solvent the calculated rate constants are closer to those obtained in silicalite. Since with this model the diffusive approach of the reactants is almost irrelevant on the reactive dynamics, only the different ability of each environment to transfer the appropriate energy amount to the reactants and then promote the barrier passage could be invoked to explain the observed behavior. We found that structural, rather than energetic, effects are mainly involved on this point. The lower efficiency of ZK4 seems to arise from the frequent trapping of the reactive complex in the narrow ZK4 windows in which the transfer is forbidden and from the weaker interaction of the reactive complex with the host framework compared to silicalite

Real-time monitoring of thermal processes by reduced order modeling

This work presents a simple technique for real-time monitoring of thermal processes. Real-time simulationbased control of thermal processes is a big challenge because high-fidelity numerical simulations are costly and cannot be used, in general, for real-time decision making. Very often, processes are monitored or controlled with a few measurements at some specific points. Thus, the strategy presented here is centered on fast evaluation of the response only where it is needed. To accomplish this, classical harmonic analysis is combined with recent model reduction techniques. This leads to an advanced harmonic methodology, which solves in real-time the transient heat equation at the monitored point. In order to apply the reciprocity principle, harmonic analysis is used in the space-frequency domain. Then, Proper Generalized Decomposition, a reduced order approach, pre-computes a transfer function able to produce the output response for a given excitation. This transfer function is computed offline and only once. The response at the monitoring point can be recovered performing a computationally inexpensive post-processing step. This last step can be performed online for real-time monitoring of the thermal process. Examples show the applicability of this approach for a wide range of problems ranging from fast temperature evaluation to inverse problems

Communication and Powering Scheme for Wireless and Battery-Less Measurement

The paper presents solution for wireless and battery-less measurement in the enclosed areas. The principle is based on passive RFID, nevertheless this paper is focused on high power-demanding applications such as MEMS accelerometers, gas sensors, piezoresistive strain gauges, etc. Standard FRID communication scheme (sensing the input current change on the primary side) cannot be used in this case, because the communication channel is overloaded by the high power load. Paper presents possible solution which is based on the dual frequency scheme – one frequency for powering and other for the communication. This is ensuring capability for measurement up to several centimeters on the frequency bands 125 kHz and 375 kHz. It can be suitable for continual measurement in isolated systems such as the rotating objects, concrete walls, enclosed plastic barrels, high temperature chambers etc

A GaN-based wireless power and information transmission method using Dual-frequency Programmed Harmonic Modulation

Information transmission is often required in power transfer to implement control. In this paper, a Dual-Frequency Programmed Harmonic Modulation (DFPHM) method is proposed to transfer two frequencies carrying power and information with the single converter via a common inductive coil. The proposed method reduces the number of injection tightly coupled transformers used to transmit information, thereby simplifying the system structure and improving reliability. The performances of power and information transmission, and the method of information modulation and demodulation, as well as the principles of the control, are analyzed in detail. Then a simulation model is set up to verify the feasibility of the method. In addition, an experiment platform is established to verify that the single converter can transfer the power and information simultaneously via a common inductive coil without using tightly coupled transformers.Web of Science8498564984

Fuzzy Controller for Matrix Converter System to Improve its Quality of Output

In this paper, Fuzzy Logic controller is developed for ac/ac Matrix Converter. Furthermore, Total Harmonic Distortion is reduced significantly. Space Vector Algorithm is a method to improve power quality of the converter output. But its quality is limited to 86.7%.We are introduced a Cross coupled DQ axis controller to improve power quality. The Matrix Converter is an attractive topology for High voltage transformation ratio. A Matlab / Simulink simulation analysis of the Matrix Converter system is provided. The design and implementation of fuzzy controlled Matrix Converter is described. This AC-AC system is proposed as an effective replacement for the conventional AC-DC-AC system which employs a two-step power conversion.Comment: 11 page

On selection criteria for problems with moving inhomogeneities

We study mechanical problems with multiple solutions and introduce a thermodynamic framework to formulate two different selection criteria in terms of macroscopic energy productions and fluxes. Studying simple examples for lattice motion we then compare the implications for both resting and moving inhomogeneities.Comment: revised version contains new introduction, numerical simulations of Riemann problems, and a more detailed discussion of the causality principle; 18 pages, several figure

Double-Frame Current Control with a Multivariable PI Controller and Power Compensation forWeak Unbalanced Networks

The handling of weak networks with asymmetric loads and disturbances implies the accurate handling of the second-harmonic component that appears in an unbalanced network. This paper proposes a classic vector control approach using a PI-based controller with superior decoupling capabilities for operation in weak networks with unbalanced phase voltages. A synchronization method for weak unbalanced networks is detailed, with dedicated dimensioning rules. The use of a double-frame controller allows a current symmetry or controlled imbalance to be forced for compensation of power oscillations by controlling the negative current sequence. This paper also serves as a useful reminder of the proper way to cancel the inherent coupling effect due to the transformation to the synchronous rotating reference frame, and of basic considerations of the relationship between switching frequency and control bandwidth.Comment: 17 pages, contribution to the 2014 CAS - CERN Accelerator School: Power Converters, Baden, Switzerland, 7-14 May 201