Search results for "energie"
showing 10 items of 215 documents
Life Cycle Energy and Environmental Assessment of the Thermal Insulation Improvement in Residential Buildings
2021
The refurbishment of the building stock is a key strategy towards the achievement of the climate and energy goals of the European Union. This study aims at evaluating the energy and environmental impacts associated with retrofitting a residential apartment to improve its vertical envelope thermal insulation. Two insulation materials, stone wool and cellulose fibers, are compared. The life cycle assessment methodology is applied assuming 1 m2 of retrofitted vertical envelope as functional unit. Moreover, to estimate the net energy and environmental benefits achievable in the retrofitted scenario compared with the non-retrofitted one, a second analysis is performed in which the system boundar…
Contributo per una visione contemporanea dell’azienda agricola: tra sostenibilità e sfide del mondo digitale
2023
Le sfide che l’umanità sta affrontando e da cui dipende la sopravvivenza del pianeta, il diffondersi nell’ambito dell’attività agricola di tecnologie digitali sempre più avanzate e la necessità di adottare un approccio sostenibile che preservi le risorse a tutela delle generazioni future hanno condotto l’azienda agricola a cambiare gradualmente volto. Questo libro mira a contribuire a un’aggiornata riflessione sul ruolo dell’imprenditore agricolo e dell’azienda da lui condotta, osservandone l’organizzazione e composizione alla luce delle regole che oggi la disciplinano e guardando alle innovazioni necessarie a garantire il raggiungimento dei pressanti obiettivi climatici e ambientali verso …
Development of a High Granularity Photovoltaic Model That Considers Complex Nonuniform Shadow Conditions and Different Cell Temperatures
2012
In this paper is the development of a high granularity photovoltaic model that considers complex nonuniform shadow conditions and different cell temperatures. The model integrates the nonuniform shading characteristics such as different areas for each cell, different direct and indirect solar irradiations for each cell, and different temperatures. The area of the shadow on the PV module is found using image processing. The bond graph formalism facilitates the representation of the energy exchange between the different parts of the PV module. This complexity justifies the effort to develop a high-granularity tool. The proposed model is validated through experimental tests under shading condi…
Initial approaches in benchmarking and round robin testing for proton exchange membrane water electrolyzers
2019
Abstract As ever-increasing amounts of renewable electricity enter the energy supply mix on a regional, national and international basis, greater emphasis is being placed on energy conversion and storage technologies to deal with the oscillations, excess and lack of electricity. Hydrogen generation via proton exchange membrane water electrolysis (PEMWE) is one technology that offers a pathway to store large amounts of electricity in the form of hydrogen. The challenges to widespread adoption of PEM water electrolyzers lie in their high capital and operating costs which both need to be reduced through R&D. An evaluation of reported PEMWE performance data in the literature reveals that there …
DFT study of the interaction free energy of p–p complexes of fullerenes with buckybowls and viologen dimers
2011
We present a theoretical investigation, by means of DFT protocols, of the complexation thermodynamics of (i) complexes of C70 and C60 fullerenes with bowl-shaped hexabenzocoronene derivatives and (ii) complexes of C60 with viologen dimers. The recent functionals of the M06 family, accounting for p-p interactions to a good level of approximation, have been used to calculate the interaction free energies. For the former complexes, the good agreement between the calculated results and the experimental data confirms the reliability of the protocol used. On these grounds, we then checked the stability of a series of complexes of C60 with some viologen dimers, 1BPnBP1 (n = 6-9), where two N-methy…
Are Heme-Dependent Enzymes Always Using a Redox Mechanism? A Theoretical Study of the Kemp Elimination Catalyzed by a Promiscuous Aldoxime Dehydratase
2020
The design of biocatalysts is a goal to improve the rate, selectivity and environmental friendship of chemical processes in biotechnology. In this regard, the use of computational techniques has provided valuable assistance in the design of enzymes with remarkable catalytic activity. In this paper, hybrid QM/MM simulations have allowed getting an insight into the mechanism of a promiscuous aldoxime dehydratase (OxdA) for the Kemp elimination. We first demonstrate that, based on the use of linear response approximation (LRA) methods, the lowest energy electronic state of the benzisoxazole placed in the active sit of OxdA corresponds to a singlet state, being the triplet and the quintet state…
Advanced descriptors for long-range noncovalent interactions between SARS-CoV-2 spikes and polymer surfaces.
2021
The recent pandemic triggered numerous societal efforts aimed to control and limit the spread of SARS-CoV-2. One of these aspects is related on how the virion interacts with inanimate surfaces, which might be the source of secondary infection. Although recent works address the adsorption of the spike protein on surfaces, there is no information concerning the long-range interactions between spike and surfaces, experimented by the virion when is dispersed in the droplet before its possible adsorption. Some descriptors, namely the interaction potentials per single protein and global potentials, were calculated in this work. These descriptors, evaluated for the closed and open states of the sp…
l-Arabinose Conformers Adsorption on Ruthenium Surfaces: A DFT Study
2012
Adsorption of 5 L-arabinose tautomers – one acyclic and four cyclic (α and β, pyranose and furanose) species – on a ruthenium surface was studied as a precursor-process of the, nowadays more and more, industrially important sugar catalytic hydrogenation on metal surfaces in water medium. The study was mostly referred to a 37-atom metal catalyst fragment, even though border-effects on the adsorption processes were also checked employing a 61-atom metal fragment. In order to figure out conformational effects on the title process the tautomer flexibility was, at first, investigated by the genetic-algorithm based code Balloon, considering the conformational spaces of the different aquo tautomer…
Intramolecular 1,5-S...N σ-hole interaction in (E)-N′-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide
2020
The hydrazide-hydrazone forms inverse dimers via hydrogen bonding, but its conformation is defined by the presence of an intramolecular chalcogen bond. Electrostatic forces dominate in the crystal packing and give rise to a layered supramolecular structure.
Origin of the large spectral shift in electroluminescence in a blue light emitting cationic iridium(III) complex
2007
A new, but archetypal compound [ Ir( ppy- F-2) (2)Me(4)phen] PF6, where ppy- F2 is 2-(2',4'- fluorophenyl) pyridine and Me(4)phen is 3,4,7,8- tetramethyl- 1,10- phenanthroline, was synthesized and used to prepare a solid-state light-emitting electrochemical cell (LEEC). This complex emits blue light with a maximum at 476 nm when photoexcited in a thin film, with a photoluminescence quantum yield of 52%. It yields an efficient single-component solid-state electroluminescence device with a current efficiency reaching 5.5 cd A(-1) and a maximum power efficiency of 5.8 Lm Watt(-1). However, the electroluminescence spectrum is shifted with respect to the photoluminescence spectrum by 80 nm resul…