Search results for "General Energy"
showing 10 items of 644 documents
Acid–Base Properties and Surface Charge Distribution of the Water-Soluble Au102(pMBA)44 Nanocluster
2016
The pKa of the p-mercaptobenzoic acid (pMBA) ligands in the Au102(pMBA)44 nanocluster was measured by using acid–base and IR titration. The observed macroscopic pKa = 6.18 ± 0.05 is significantly more basic than that of free pMBA (pKa = 4.16), and the protonation behavior is anticooperative according to the Hill coefficient n = 0.64 ± 0.04. The cluster is truly water-soluble when more than 22 and insoluble when fewer than 7 ligands are in the deprotonated state. In order to obtain more insight into the anticooperative character, the cluster was modeled at pH ∼6.2 using constant pH molecular dynamics simulations. The pKa values of the individual pMBAs are in the range of 5.18–7.58, depending…
Atomic Layer Deposition of Spinel Lithium Manganese Oxide by Film-Body-Controlled Lithium Incorporation for Thin-Film Lithium-Ion Batteries
2013
Lithium manganese oxide spinels are promising candidate materials for thin-film lithium-ion batteries owing to their high voltage, high specific capacity for storage of electrochemical energy, and minimal structural changes during battery operation. Atomic layer deposition (ALD) offers many benefits for preparing all-solid-state thin-film batteries, including excellent conformity and thickness control of the films. Yet, the number of available lithium-containing electrode materials obtained by ALD is limited. In this article, we demonstrate the ALD of lithium manganese oxide, LixMn2O4, from Mn(thd)3, Li(thd), and ozone. Films were polycrystalline in their as-deposited state and contained le…
On the modelling of an Acid/Base Flow Battery: An innovative electrical energy storage device based on pH and salinity gradients
2020
Abstract Electrical energy storage can enhance the efficiency in the use of fluctuating renewable sources, e.g. solar and wind energy. The Acid/Base Flow Battery is an innovative and sustainable process to store electrical energy in the form of pH and salinity gradients via electrodialytic reversible techniques. Two electromembrane processes are involved: Bipolar Membrane Electrodialysis during the charge phase and its opposite, Bipolar Membrane Reverse Electrodialysis, during the discharge phase. For the first time, the present work aims at predicting the performance of this energy storage device via the development of a dynamic mathematical model based on a multi-scale approach with distr…
Development of a membrane-less microfluidic thermally regenerative ammonia battery
2021
Thermally regenerative ammonia battery is a promising approach to make use of waste heat and generate electrical energy. However, according to literature, the price of the energy obtained by this device is much higher than alternative renewable technologies (such as wind, solar, geothermal, etc.). To make the process more viable for applicative purposes, it would be necessary to reduce dramatically the cost of the membrane or to avoid it. Hence, the aim of the present work is to increase the economic figures of thermally regenerative ammonia battery avoiding the use of membranes. It was concluded that this result can be obtained by developing the process in a microfluidic flow cell with lam…
Interaction of Au16 Nanocluster with Defects in Supporting Graphite: A Density-Functional Study
2011
Soft-landed adsorption of Au-16 on bilayered graphene is investigated using density functional theory. The orientation of the Au-16 cluster and number of neighboring surface vacancies affect the overall structural and electronic properties of the cluster. The results of the PBE, vdW-DF, and vdW-DF2 exchange-correlation functionals are compared for the cluster-substrate interaction for systems with and without defects. In the presence of defects size two and greater, an Au atom adsorbs into the topmost graphene layer; this strongly influences the binding energy (>3 eV), while inducing substantial bending in the carbon plane and altering electronic properties of the system. Though the T-d-sym…
Enzymatic biodiesel: Challenges and opportunities
2014
The chemical-catalyzed transesterification of vegetable oils to biodiesel has been industrially adopted due to its high conversion rates and low production time. However, this process suffers from several inherent drawbacks related to energy-intensive and environmentally unfriendly processing steps such as catalyst and product recovery, and waste water treatment. This has led to the development of the immobilized enzyme catalyzed process for biodiesel production which is characterized by certain environmental and economical advantages over the conventional chemical method. These include room-temperature reaction conditions, elimination of treatment costs associated with recovery of chemical…
Coherent Manipulation of Polarization in Mixed-Valence Compounds by Electric Pulse via Landau–Zener Transitions
2012
In this contribution, we predict and theoretically investigate the effects of the electric field pulse in mixed valence (MV) dimers. These systems exhibit bistability with a large internal dipole moment mediated by the itinerant electron trapped by the vibronic coupling. In this sense, they are similar to single molecular magnets (SMMs) that are bistable systems possessing large long-living magnetization and exhibiting Landau−Zener (LZ) transitions. We propose a scheme for a controllable LZ tunnelling in MV systems that provides also a possibility to control the dipole moment of a dimeric MV unit. It is supposed that the static electric field initially polarizes the system, and then the uni…
Effect of operating conditions and feedstock composition on the properties of manganese oxide or quartz charcoal pellets for the use in ferroalloy in…
2020
peer-reviewed The full text of this article will not be available until the embargo expires on the 26/12/2021 This study investigates the effect of heat treatment temperature on the properties of charcoal composite pellets used for the reduction of ferroalloys. The heavy fraction of biooil was used as a binder for the charcoal ore pellet preparation. The effect of heat treatment temperature on the pellet shrinkage was related to the degree of reduction which varied with feedstock and ore composition. The results showed that the size and shape of the charcoal pellets were not affected by the biooil devolatilization. Manganese charcoal pellets showed higher electrical resistance during pyroly…
Vegetation growth parameters and leaf temperature: Experimental results from a six plots green roofs' system
2016
Abstract The paper provides a contribution for populating database of three physical parameters needed to model energy performance of buildings with green roofs: “coverage ratio” ( σ f ), leaf area index (LAI) and leaf temperature ( T f ). On purpose, six plant species were investigated experimentally: Phyla nordiflora, Aptenia lancifolia , Mesembryanthenum barbatus , Gazania nivea, Gazania uniflora , and Sedum . Proper ranges of the cited parameters have been found for each species. The here indicated ranges of σ f values refer to different growth levels of the species in the same lapse of time, that is four months. Single measured LAI values are also reported for the same plants. As for t…
Where Is the Most Hydrophobic Region? Benzopurpurine Self-Assembly at the Calcite–Water Interface
2017
Control of molecular self-assembly at solid–liquid interfaces is challenging due to the complex interplay between molecule–molecule, molecule–surface, molecule–solvent, surface–solvent, and solvent–solvent interactions. Here, we use in-situ dynamic atomic force microscopy to study the self-assembly of Benzopurpurine 4B into oblong islands with a highly ordered inner structure yet incommensurate with the underlying calcite (10.4) surface. Molecular dynamics and free energy calculations provide insights by showing that Benzopurpurine 4B molecules do not anchor to the surface directly but instead assemble on top of the second hydration layer. This seemingly peculiar behavior was then rationali…