Search results for "Free Energy"
showing 10 items of 170 documents
Analytical, thermodynamical and kinetic characteristics of photoluminescence immunosensor for the determination of Ochratoxin A
2017
Ochratoxin A (OTA) is one of the most widespread and dangerous food contaminants. Therefore, rapid, label-free and precise detection of low OTA concentrations requires novel sensing elements with advanced bio-analytical properties. In the present paper we report photoluminescence (PL) based immunosensor for the detection of OTA. During the development of immunosensor photoluminescent ZnO nanorods (ZnO-NRs) were deposited on glass substrate. Then the ZnO-NRs were silanized and covalently modified by Protein-A (Glass/ZnO-NRs/Protein-A). The latest structure was modified by antibodies against OTA (Anti-OTA) in order to form OTA-selective layer (Glass/ZnO-NRs/Protein-A/Anti-OTA). In order to im…
Synthesis, characterization and thermal degradation of 8-hydroxyquinoline–guanidine–formaldehyde terpolymer
2007
Abstract Terpolymer (8-HQGF) has been synthesized using the monomers 8-hydroxyquinoline, guanidine, formaldehyde in 1:1:2 molar proportions. The structure of 8-HQGF terpolymer has been elucidated on the basis of elemental analysis and various physicochemical techniques, i.e. UV–Visible, FTIR–ATR and 1 H NMR spectroscopy. Detailed thermal degradation study of the new terpolymer has been carried out to ascertain its thermal stability. Thermal degradation curve is discussed which shows two decomposition steps (265–475 °C and 540–715 °C). Sharp–Wentworth and Freeman–Carroll methods have been used to calculate activation energies and thermal stability. The activation energy ( E a ) calculated by…
Improved limits on the lepton-flavor violating decays tau(-) -> l(-)l(+)l(-)
2007
A search for the neutrinoless, lepton-flavor violating decay of the tau lepton into three charged leptons has been performed using 376fb-1 of data collected at an e+e- center-of-mass energy around 10.58 GeV with the BABAR detector at the SLAC PEP-II storage rings. In all six decay modes considered, the numbers of events found in data are compatible with the background expectations. Upper limits on the branching fractions are set in the range (4-8)×10-8 at 90% confidence level. © 2007 The American Physical Society.
High-pressure phases, vibrational properties, and electronic structure ofNe(He)2andAr(He)2: A first-principles study
2009
We have carried out a comprehensive first-principles study of the energetic, structural, and electronic properties of solid rare-gas RG-helium binary compounds, in particular, NeHe2 and ArHe2, under pressure and at temperatures within the range of 0T2000 K. Our approach is based on density-functional theory and the generalized gradient approximation for the exchange-correlation energy; we rely on total Helmholtz freeenergy calculations performed within the quasiharmonic approximation for most of our analysis. In NeHe2, we find that at pressures of around 20 GPa the system stabilizes in the MgZn2 Laves structure, in accordance to what was suggested in previous experimental investigations. In…
Sound absorption prediction of linear damped acoustic resonators using a lightweight hybrid model
2019
International audience; A lightweight numerical method is developed to predict the sound absorption coefficient of resonators whose cross-section dimensions are significantly larger compared to the viscous and thermal boundary layer’s thicknesses. This method is based on the boundary layer theory and on the perturbations theory. According to the perturbations theory, in acoustical domains with large dimensions, the fluid viscosity and thermal conductivity only affect the boundary layers. The model proposed in this article combines the lossless Helmholtz wave equation derived from a perfect fluid hypothesis, with viscosity and thermal conductivity values of a real fluid to compute the sound …
Jahn-Teller effect in the phonon properties of defective SrTiO3from first principles
2012
the Jahn–Teller effect occurs, thus reducing the cubic symmetry of a perfect crystal and leading to the appearance of both Raman- and infrared-active vibrational modes. The calculated phonon densities of states and group-theoretical analysis of defect-induced phonon frequencies were used for the interpretation of the relevant experimental data, once defect-induced local modes are identified. The temperature dependence of the Vo formation energy based on the calculated Gibbs free energy was also compared with experiments, and the phonon contribution therein estimated.
Unravelling cosmic velocity flows: a Helmholtz-Hodge decomposition algorithm for cosmological simulations
2021
In the context of intra-cluster medium turbulence, it is essential to be able to split the turbulent velocity field in a compressive and a solenoidal component. We describe and implement a new method for this aim, i.e., performing a Helmholtz-Hodge decomposition, in multi-grid, multi-resolution descriptions, focusing on (but not being restricted to) the outputs of AMR cosmological simulations. The method is based on solving elliptic equations for a scalar and a vector potential, from which the compressive and the solenoidal velocity fields, respectively, are derived through differentiation. These equations are addressed using a combination of Fourier (for the base grid) and iterative (for t…
A Consistent Boundary/Interior Element Method for Evolutive Elastic Plastic Structural Analysis
1993
A symmetric/sign-definite formulation of the BEM to address the evolutive elastic plastic analysis of structures is presented. A wide class of material models with internal variables and thermodynamic potential is considered. Different energy methods—namely the boundary min-max principle, the Helmholtz free energy and the maximum intrinsic dissipation theorem—axe employed in order to provide the discretization operations by boundary elements and cell elements with inherent variational consistency. The resulting space-discretized equations can be solved by a step-by-step procedure and a predictor/corrector iteration scheme, with corrections operated locally cell-by-cell, just as with the FEM…
Beyond the Vegard's law: solid mixing excess volume and thermodynamic potentials prediction, from end-members
2020
Abstract A method has been developed, herein presented, to model binary solid solutions' volume, enthalpy and Gibbs energy using the energy state functions, E ( V , S ) , of the end-members only. The E ( V , S ) s are expanded around an unknown mixing volume, V Mix , and the fundamental equilibrium equation − ( ∂ E / ∂ V ) S = P is used to determine V Mix . V Mix allows us to model enthalpy, straightforwardly. The same argument holds using Helmholtz energy, F ( V , T ) , in place of E ( V , S ) , and the equilibrium equation becomes − ( ∂ F / ∂ V ) T = P . One can readily determine the Gibbs free energy, too. The method presented remarkably simplifies computing of solid mixings' thermodynam…
Fractional-Order Thermal Energy Transport for Small-Scale Engineering Devices
2014
Fractional-order thermodynamics has proved to be an efficient tool to describe several small-scale and/or high-frequency thermodynamic processes, as shown in many engineering and physics applications. The main idea beyond fractional-order physics and engineering relies on replacing the integer-order operators of classical differential calculus with their real-order counterparts. In this study, the authors aim to extend a recently proposed physical picture of fractional-order thermodynamics to a generic 3D rigid heat conductor where the thermal energy transfer is due to two phenomena: a short-range heat flux ruled by stationary and nonstationary transport equations, and a long-range thermal …