18 research outputs found

    Analysis of the transition from Normal Modes to Local Modes in a system of two harmonically coupled Morse oscillators

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    The system consisting of two Morse oscillators coupled via either a potential or a kinetic quadratic term is considered. The corresponding classical equations of motion have been numerically integrated and the initial conditions have been systematically analyzed in the regime of low total excitation energy of the system. Particular attention was paid to the full characterization of an intermediate type of motion, herein called transition mode, which appears at total energy values in between those typical of normal modes and those where local and normal modes coexist. A previously proposed perturbative approach (Jaffé C, Brumer P (1980) J Chem Phys 73:5646) is reanalyzed and compared with the results of numerical experiments, with the purpose of lending further support to the existence of transition modes

    ‘Good Practices’ to Improve Energy Efficiency in the Industrial Sector

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    Since the introduction of the International Pollution Prevention and Control (IPPC) directive and of the Best Available Techniques Reference (BREF) documents, the best available techniques (BATs) have become a reference both for policies and for companies to compare performance and to identify investment opportunities. Due to the environmental core of the IPPC and the Industrial Emissions Directive (IED), energy efficiency (EE) BATs are not always detailed and often lack energy-performance indicators. The H2020 EU-MERCI project is aimed at fostering and facilitating the implementation of EE projects in the manufacturing industry sectors by selecting and disseminating technological and policy best practices. A set of EE ‘Good Practices’ (GPs) was developed considering both BREF indications and literature analysis, and as innovative approach the outcomes of EE obligation and support measures aimed at the industrial sector. This was implemented through an in-depth analysis of the existing schemes in four countries (Austria, Italy, Poland and UK) and a thorough activity to normalise and compare the data made available by the different schemes. The outcome is available through the European Industrial Energy Efficiency good Practices platform implemented by EU-MERCI Partners. On the platform, a database of EE projects implemented in industry under the existing schemes is available. The database is searchable by country, sector, supporting scheme, implementation year and company size. The complete list is also downloadable as Excel file. Besides, a library divided by sectors is available, in which it is possible to look for the available GPs (both BATs and projects implemented under the national schemes) for each phase of the manufacturing processes. Sectoral and national analyses are finally available. This article will illustrate the methodology used for the project and the main outcomes.This work has been funded partially by the Research Fund for Italian Electric System under the Contract Agreement between RSE and the Italian Ministry of Economic Development and partially by the European Commission under Grant Agreement No. 693845 (EU-MERCI project). The authors would like to thank the other project partners, especially AEA, KAPE, Carbon Trust, CRES and FIRE and the colleagues from RSE for the constant support

    THE USE OF FOURIER TRANSFORM IN INTERPRETING VIBRATIONAL. SPECTRA.

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    1.^{1.} C. Jaff\'{e}, and P. Brumer, J. Chem. Phys., 73, 5646 (1980); E. L. Sibert III, W.P. Reinhardt, and J. T. Hynes, S. Che., Ptys., 77, 3583 (1982) 2.^{2.} G. Longhi, S. Abbate, C. Zagano, G. Botto, and L. Ricard-Lespade. Theor. Chim. Acta, 82, 321 (1992) 3.^{3.} D.W. Noid, M.L., Koszykowaky, and R.A. Marcus, J. Chem. Phys., 67, 404 (1977)Author Institution: Dipartimento di Chimica, Universit\""{a} della Basilicata.; Dipartimento di Matematica, Universit\'{a} dl Milano; Laboratoire de Spectroscopie Moleculaire, Universit\'{e} de Bordeaux IThe investigation of molecular vibrations through non-linear classical mechanics has achieved considerable success in accounting for the transition from the normal mode to the local mode regime(1). We have recently proved the existence of some peculiar type of modes, which differ from both local and normal modes, in a system of two coupled Morse oscillators ABAA-B-A^{\prime} (2). In this work we analyze the Fourier transform of some vibrational autocorrelation functions derived from numerical integration of the classical equations of motion(3). We applied these theoretical calculations to gain insight into the quasiperiodic vibrational motions of CH2CH_{2}-type oscillators. Eventually we intend to use these results to further understand observed overtone absorption spectra of molecules containing methylenic groups

    ANALYSIS OF THE TRANSITION FROM NORMAL MODES TO LOCAL MODES

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    Author Institution: Dipartimento di Chimica Fisica, Universit{\'a} di Palermo; Dipartimento di Fisica, Universit\'{a} di Milano; Laboratoire de Spectroscopic Moleculaire et Cristalline, Universtit{\'e} de Bordeaux 1By numerical integration of the classical equations of motion for a system of two coupled anharmonic oscillators, one can define the vibrational motions as follows: normal modes, for which energy is exchanged between the two oscillators and their phase difference is almost constant; local modes, for which the energy of one oscillator is always greater than the other’s and their phases are independent (1). We found a third type of modes, that we called transition modes, which show phase relation between the two oscillators and yet no energy exchange. They appear at total energy values intermediate between those typical for normal modes and for local modes. We tested our finding by two perturbative approaches, based on local modes and normal modes respectively. In this note we will point out the parameters favoring a wide extent of transition modes, in order to look for a spectroscopic signature of such modes. 1^{1}E. L. Sibert III, W. P. Reinhardt, J. T. Hynes, J. Chem. Phys., 77, 3583(1982

    Key performance indicators of ‘good practices’ of energy efficiency in industry: application to real cases in Italy and in the European Union

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    With the publication of the Energy Efficiency Directive (EED) in 2012, energy savings in the Industry processes have gained more and more importance in the European Union (EU). Industry (with building and transport) is one of the three main sectors where Energy consumption and efficiency play a fundamental role, to accomplish the EU energy objectives. Many countries in EU have already adopted schemes and mechanisms to implement the Directive: however deep differences of approaches still remain among the Member States (MSs), especially with respect to the identification of the real benefits of measures and to the assessment of their efficiency and sustainability. As a consequence, a huge amount of the efficiency potential still remains untapped. This paper proposes some criteria for the evaluation of the applied Energy Efficiency measures, leading to the identification of Good Practices of Energy Efficiency. These criteria are taken from the ‘real world’ of industry, and are susceptible to be replicated in other contexts (e.g. different sectors or other countries). The proposed criteria have been developed in the EU H2020 project EU MERCI (nr 693845) and through a national research (part of the ‘Ricerca di Sistema’ national funding system) both coordinated by RSE. The starting point is the harmonization of data sets related to projects developed in different EU countries within local efficiency implementation schemes. The second step is the definition of Key Performance Indicators (KPIs) reflecting the impact of measures against Energy, Environment and Economic aspects. The last step is the extraction of efficiency ‘Good Practices’ ranked according to the identified KPIs and other factors, including social elements. The real added value of this approach is that it is full based on tangibly implemented projects, in opposition to similar attempts, essentially theoretical. Ultimately, it offers a key of assessment of the effectiveness of efficiency measures implementing local and EU policies
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