Predicting Solid-State Heats of Formation of Newly Synthesized Polynitrogen Materials by Using Quantum Mechanical Calculations

We present density functional theory level predictions and analysis of the basic properties of newly synthesized high-nitrogen compounds together with 3,6-bis(2H-tetrazol-5-yl)-1,2,4,5-tetrazine (BTT) and 3,3′-azobis(6-amino-1,2,4,5-tetrazine) (DAAT), for which experimental data are available. The newly synthesized high-nitrogen compounds are based on tricycle fused 1,2,4-triazine and 1,2,4,5-tetrazine heterocycles. In this work, the molecules BTT and DAAT have been studied in order to validate the theoretical approach and to facilitate further progress developments for the molecules of interest. Molecular structural properties are clarified, and IR spectra predictions are provided to help detection of those compounds in the experiment. The energy content of the molecules in the gas phase is evaluated by calculating standard enthalpies of formation, by using a special selection of isodesmic reaction paths. We also include estimates of the condensed-phase heats of formation and heats of sublimation in the framework of the Politzer approach. The obtained properties are consistent with those new high-nitrogen compounds being a promising set of advanced energetic materials

Authentication Solutions in Industrial Internet of Things: A Survey

With the rapid growth of industry 4.0, the Industrial Internet of Things (IIoT) is considered to be a promising solution for converting normal operations to ‘smart’ operations in industrial sectors and systems. The well-known characteristics of IIoT has greatly improved the productivity and quality of many industrial sectors. IIoT allows the connectivity of many industrial smart devices such as, sensors, actuators and gateways. The connectivity feature makes this critical environment vulnerable to various cybersecurity attacks. Subsequently, maintaining the security of IIoT sys-tems remains a challenge to ensure their success. In particular, authenticating the connected IIoT devices is a must to ensure that they can be trusted and prevent any malicious attempts. Hence, the objective of this survey is to overview, discuss and analyze the different solutions related to de-vice authentication in the domain of IIoT. Also, we analyze the IIoT environment in terms of characteristics, architecture and security requirements. Similarly, we highlight the role of (machine-to-machine) M2M communication in IIoT. We further contribute to this survey by outlining several open issues that must be considered when designing authentication schemes for IIoT. Fi-nally, we highlight a number of research directions and open challenges

Magnetism of Two Coupled Harmonic Oscillators

The thermodynamical properties of a system of two coupled harmonic oscillators in the presence of an uniform magnetic field B are investigated. Using an unitary transformation, we show that the system can be diagonalized in simple way and then obtain the energy spectrum solutions. These will be used to determine the thermodynamical potential in terms of different physical parameters like the coupling parameter \alpha. This allows us to give a generalization of already significant published work and obtain different results, those could be used to discuss the magnetism of the system. Different limiting cases, in terms of \alpha and B, have been discussed. In fact, quantum corrections to the Landau diamagnetism and orbital paramagnetism are found.Comment: 25 page

Production of Hydrogen by Superadiabatic Decomposition of Hydrogen Sulfide - Final Technical Report for the Period June 1, 1999 - September 30, 2000

The objective of this program is to develop an economical process for hydrogen production, with no additional carbon dioxide emission, through the thermal decomposition of hydrogen sulfide (H{sub 2}S) in H{sub 2}S-rich waste streams to high-purity hydrogen and elemental sulfur. The novel feature of the process being developed is the superadiabatic combustion (SAC) of part of the H{sub 2}S in the waste stream to provide the thermal energy required for the decomposition reaction such that no additional energy is required. The program is divided into two phases. In Phase 1, detailed thermochemical and kinetic modeling of the SAC reactor with H{sub 2}S-rich fuel gas and air/enriched air feeds is undertaken to evaluate the effects of operating conditions on exit gas products and conversion efficiency, and to identify key process parameters. Preliminary modeling results are used as a basis to conduct a thorough evaluation of SAC process design options, including reactor configuration, operating conditions, and productivity-product separation schemes, with respect to potential product yields, thermal efficiency, capital and operating costs, and reliability, ultimately leading to the preparation of a design package and cost estimate for a bench-scale reactor testing system to be assembled and tested in Phase 2 of the program. A detailed parametric testing plan was also developed for process design optimization and model verification in Phase 2. During Phase 2 of this program, IGT, UIC, and industry advisors UOP and BP Amoco will validate the SAC concept through construction of the bench-scale unit and parametric testing. The computer model developed in Phase 1 will be updated with the experimental data and used in future scale-up efforts. The process design will be refined and the cost estimate updated. Market survey and assessment will continue so that a commercial demonstration project can be identified

Analyse de l'écoulement de Poiseuille - Rayleigh - Bénard (PRB) par la méthode de Lattice Boltzmann

International audienceUne méthode numérique basée sur l'équation de Boltzmann (LBE) à deux distributions est développée pour résoudre les équations de conservation (énergie et quantité de mouvement). La configuration considérée est un canal chauffé par le bas, refroidi par le haut et traversé par un fluide (Pr = 1). L'étude est effectuée pour une gamme de nombres de Rayleigh (

Survey of the physico-chemical quality of the wastewaters of Biskra city rejected in Chabat Roba, Messdour and Wadi Z'ommor (Algeria)

The wastewaters of the agglomeration of Biskra (Southeast Algeria) are poured without treatment in three main dismissals that are Chabat Roba (1st site), Messdour (2nd site) and Wadi Z'ommor (3rd site). The pollution charge determined in the 1st site is the order of 157.76 ± 34.14 mg/L of O2 for the BOD5 (Biochemical Oxygen Demand in 5 days) of 457 ± 73.59 mg/L of O2 for the COD (Chemical Oxygen Demand) and 1109 ± 110.56 mg/L for the TSS (Total suspended Solids). In the 2nd site, the polluting charge is in average of 156 ± 29.72 mg/L of 'O2 for the BOD5, 430.76 ± 29.81 mg/L of O2 for the COD and 1157.92 ± 76 mg/L of O2 for the TSS. The 3rd site, the polluting charge is represented by 152.92 ± 27.76 mg/L of O2 of BOD5, 381.69 ± 70.03 mg/L of O2 of COD and by 1039 ±106.65 mg/L of O2 of TSS. The follow-up of these parameters in the three sites puts in evidence instability of the organic charge during seasons. The COD/BOD5 report equal 3 for the 1st site, this elevated value, watch that these waters are characterized by an inorganic pollution probably due to the industrial origin. With regard to the 2nd and 3rd sites, the COD/BOD5 report is between 3 and 2.5 for the first and between 2 and 2.50 for the second. The results defined the urban nature of the rejection poured in these sites.Key words: Wastewaters, Biskra, COD/BOD5 report, pollution charge, TSS

Multicontroller: an object programming approach to introduce advanced control algorithms for the GCS large scale project

The GCS (Gas Control System) project team at CERN uses a Model Driven Approach with a Framework - UNICOS (UNified Industrial COntrol System) - based on PLC (Programming Language Controller) and SCADA (Supervisory Control And Data Acquisition) technologies. The first' UNICOS versions were able to provide a PID (Proportional Integrative Derivative) controller whereas the Gas Systems required more advanced control strategies. The MultiController is a new UNICOS object which provides the following advanced control algorithms: Smith Predictor, PFC (Predictive Function Control), RST* and GPC (Global Predictive Control). Its design is based on a monolithic entity with a global structure definition which is able to capture the desired set of parameters of any specific control algorithm supported by the object. The SCADA system -- PVSS - supervises the MultiController operation. The PVSS interface provides users with supervision faceplate, in particular it links any MultiController with recipes: the GCS experts are able to capture sets of relevant advanced control algorithm parameters to reuse them later. Starting by exposing the MultiController object design and implementation for a PVSS and Schneider PLC solution, this paper finishes by highlighting the benefits of the MultiController with the GCS applications

Bioinformatics and Biomedical Informatics

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