Search results for "Gibbs"
showing 10 items of 164 documents
Application of reverse electrodialysis to site-specific types of saline solutions: A techno-economic assessment
2019
Abstract Salinity gradients are a non-conventional source of renewable energy based on the recovery of the Gibbs free energy related to the mixing of solutions at different concentrations. Reverse Electrodialysis is a promising and innovative technology able to convert this energy directly into electric current. The worldwide availability of salinity gradients is limited to those locations where water bodies at different salinity levels are present. The present work analyses a number of different scenarios worldwide, in locations where salinity gradients are naturally available or generated by anthropogenic activities. A techno-economic model of the Reverse Electrodialysis process is presen…
Pd-catalyzed hydrodehalogenation of chlorinated olefins: Theoretical insights to the reaction mechanism
2012
Abstract Density functional theory calculations are applied to study energetics of trichloroethene (TCE) hydrodechlorination over pure Pd(1 1 1), chlorine-covered Pd(1 1 1), and Pd island supported by Au(1 1 1). Our results show that in all cases C Cl bond breakings take place more readily than C H bond formations and that TCE dechlorinates fully producing CCH precursors for the hydrogenations. The reaction pathway through radical-like species provides a possible explanation to the experimental product distributions that show a nominal amount of lesser chlorinated species in the presence of excess hydrogen. The surface chlorine resulted from the TCE decomposition weakens the binding of the …
Thermodynamic Behavior of Non-Ionic Tri-block Copolymers in Water at Three Temperatures
2006
Apparent molar volumes (V Φ) of aqueous solutions of some copolymers, based on ethylene oxide (EO) and propylene oxide (PO) units, were determined as functions of concentration at three temperatures. Viscosity measurements were also carried out on some of these systems. The effects studied include how the molecular architecture and the molecular weight affect the aggregation of the copolymer, keeping constant the EO/PO ratio. Modeling of the volumetric data yielded the partial molar volume of the copolymer in the standard (V°) and the aggregated (V M) states, as well as the equilibrium constant for micellization and the aggregation number. Analysis of the viscosity data supported the insigh…
Fe-periclase reactivity at Earth's lower mantle conditions: Ab-initio geochemical modelling
2017
Intrinsic and extrinsic stability of the (Mg, Fe) O solid mixture in the Fe-Mg-Si-O system at high P, T conditions relevant to the Earth's mantle is investigated by the combination of quantum mechanical calculations (Hartree-26 Fock/DFT hybrid scheme), cluster expansion techniques and statistical thermodynamics. Iron in the (Mg, Fe) O binary mixture is assumed to be either in the low spin (LS) or in the high spin (HS) state. Un-mixing at solid state is observed only for the LS condition in the 23-42 GPa pressure range, whereas HS does not give rise to un-mixing. LS (Mg, Fe) O un-mixings are shown to be able to incorporate iron by subsolidus reactions with a reservoir of a virtual bridgmanit…
Gibbs equation in the nonlinear nonequilibrium thermodynamics of dilute nonviscous gases
2003
AbstractThis paper deals with the derivation of the Gibbs equation for a nonviscous gas in the presence of heat flux. The analysis aims to shed some light on the physical interpretation of thermodynamic potentials far from equilibrium. Two different definitions for the chemical potential and thermodynamic pressure far from equilibrium are introduced: nonequilibrium chemical potential and nonequilibrium thermodynamic pressure at constant heat flux q and nonequilibrium chemical potential and nonequilibrium thermodynamic pressure at constant J = Vq, where V is the specific volume.
Fake Nodes approximation for Magnetic Particle Imaging
2020
Accurately reconstructing functions with discontinuities is the key tool in many bio-imaging applications as, for instance, in Magnetic Particle Imaging (MPI). In this paper, we apply a method for scattered data interpolation, named mapped bases or Fake Nodes approach, which incorporates discontinuities via a suitable mapping function. This technique naturally mitigates the Gibbs phenomenon, as numerical evidence for reconstructing MPI images confirms.
Modular Structures on Trace Class Operators and Applications to Landau Levels
2009
The energy levels, generally known as the Landau levels, which characterize the motion of an electron in a constant magnetic field, are those of the one-dimensional harmonic oscillator, with each level being infinitely degenerate. We show in this paper how the associated von Neumann algebra of observables displays a modular structure in the sense of the Tomita–Takesaki theory, with the algebra and its commutant referring to the two orientations of the magnetic field. A Kubo–Martin–Schwinger state can be built which, in fact, is the Gibbs state for an ensemble of harmonic oscillators. Mathematically, the modular structure is shown to arise as the natural modular structure associated with the…
A multi-scale area-interaction model for spatio-temporal point patterns
2018
Models for fitting spatio-temporal point processes should incorporate spatio-temporal inhomogeneity and allow for different types of interaction between points (clustering or regularity). This paper proposes an extension of the spatial multi-scale area-interaction model to a spatio-temporal framework. This model allows for interaction between points at different spatio-temporal scales and the inclusion of covariates. We fit the proposed model to varicella cases registered during 2013 in Valencia, Spain. The fitted model indicates small scale clustering and regularity for higher spatio-temporal scales.
Estimation of individual Gibbs energies of cation transfer employing the insertion electrochemistry of solid Prussian blue
2011
Abstract A novel method to determine the Gibbs energy of cation transfer between two miscible solvents is described. This method uses electrochemical data for the reversible cation-assisted solid-state reduction of Prussian blue using ferrocene as internal potential standard. Voltammetric data can be used for a direct measurement of the Gibbs energy of ion transfer from one solvent to another using midpeak potentials in solutions of suitable salts in each one of the solvents separately or mixtures of the solvents. Excess Gibbs energies of solvation in solvent mixtures can also be directly estimated. Gibbs energies of cation transfer of Li+, Na+ and K+ ions from water to MeOH, MeCN and DMSO …
Thermodynamics of Solubilization of Pentanol in Sodium Dodecyl Sulfate-Dodecyldimethylamine Oxide Mixed Micelles
1994
Abstract Heat capacity and density measurements of pentanol (PeOH)-sodium dodecyl sulfate (NaDS)-dodecyldimethylamine oxide-water mixtures were carried out at 0.03 m PeOH as a function of the total surfactants concentration (mc) at different ratios (XNaDS). From experimental data, the apparent molar volumes (VΦ,R) and heat capacities (CΦ,R) of PeOH in the surfactants mixture solutions were calculated. As a general feature, at a given mixture composition, VΦ,R increases monotonically with mt as observed in pure surfactants. In the cases of XNaDS = 0.1 and 0.3, VΦ,R drops at about 0.1 and 0.15 mt respectively. The decreasing CΦ,R VS mt curve shows peculiarities which were ascribed to the pres…