Search results for "THERMODYNAMICS"

Entropy

2008

Use of physicochemical processing in treating urban waste waters

1994

The principal objective of the present study was to compare two clearly defined purification processes in two stages: the periods 1985–1987 (conventional) and 1988–1990 (physico‐chemical). In general, the mean concentrations obtained were lower in the second period. A z‐test for comparing means was applied, but no significant correlation was observed (p ≤ 0.05). The mean concentrations obtained (with some exceptions) are lower in the second period. With the passing of time, the total volume of sewage flow has increased, and hence the load of contaminants has become diluted. The use of physico‐chemical treatment prior to biological processing may be the cause of the increase in cost.

Interaction of ionic compounds with multilamellar liposomes. An electrokinetic model

1998

Abstract We have proposed a theoretical model of interaction of ionic compounds (ionic adsorbate or ionic drugs), with multilamellar-liposomes, by means of their electrokinetic property variation with the ionic compound concentration. In this work, we show the complete development of the model proposed. Its theoretical results have been analysed to study the influence on the zeta-potential value of the following: number of membranes, size, shear-plane situation, critical concentration of formation (ccf), and the ionic compound concentration which annuls the zeta-potential value of the multilamellar-liposomes formed.

Thermodynamics of electrokinetic processes—II. systems with different kinds of electrodes

1990

Abstract In this work Haase's Formulation of Electrokinetic Processes is applied to special systems: those working with two different electrodes and those where gaseous phases are formed. Phenomenological equations are always written in terms of directly observable variables. The extrinsic character of Haase's Formulation is clearly shown. Some special results on streaming current in dielectric liquids are explained.

C-S-H/solution interface: Experimental and Monte Carlo studies

2010

International audience; The surface charge density of C-S-H particles appears to be one of the key parameters for predicting the cohesion strength, understanding the ion retention, the pollutant leakage, and admixture adsorption in hydrated cement pastes. This paper presents a Monte Carlo simulation of the surface-ions interactions that permits the prediction of surface charge density (σ), electrokinetic potential (ζ) and ions adsorption of mineral surfaces in equilibrium with a given electrolyte solution. Simulated results are compared to experimental data obtained by titration, electrokinetic potential measurements and ions uptake in the case of C-S-H suspensions. An excellent agreement i…

Analytical RF Pulse Heating Analysis for High Gradient Accelerating Structures

2021

The main aim of this work is to present a simple method, based on analytical expressions, for obtaining the temperature increase due to the Joule effect inside the metallic walls of an RF accelerating component. This technique relies on solving the 1-D heat-transfer equation for a thick wall, considering that the heat sources inside the wall are the ohmic losses produced by the RF electromagnetic fields penetrating the metal with finite electrical conductivity. Furthermore, it is discussed how the theoretical expressions of this method can be applied to obtain an approximation to the temperature increase in realistic 3-D RF accelerating structures, taking as an example the cavity of an RF e…

HEAT: High accuracy extrapolated ab initio thermochemistry.

2004

A theoretical model chemistry designed to achieve high accuracy for enthalpies of formation of atoms and small molecules is described. This approach is entirely independent of experimental data and contains no empirical scaling factors, and includes a treatment of electron correlation up to the full coupled-cluster singles, doubles, triples and quadruples approach. Energies are further augmented by anharmonic zero-point vibrational energies, a scalar relativistic correction, first-order spin-orbit coupling, and the diagonal Born-Oppenheimer correction. The accuracy of the approach is assessed by several means. Enthalpies of formation (at 0 K) calculated for a test suite of 31 atoms and mole…

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview

2008

Effects of increased basis-set size as well as a correlated treatment of the diagonal Born-Oppenheimer approximation are studied within the context of the high-accuracy extrapolated ab initio thermochemistry (HEAT) theoretical model chemistry. It is found that the addition of these ostensible improvements does little to increase the overall accuracy of HEAT for the determination of molecular atomization energies. Fortuitous cancellation of high-level effects is shown to give the overall HEAT strategy an accuracy that is, in fact, higher than most of its individual components. In addition, the issue of core-valence electron correlation separation is explored; it is found that approximate add…

Structural and vibrational study of the tautomerism of histamine free-base in solution.

2003

Infrared and Raman spectroscopy in H(2)O and D(2)O and quantum Density Functional calculations were used to determine the structure of histamine free-base in aqueous solution. A quantum mechanical study of the tautomeric equilibrium of histamine free-base in solution was performed at the 6-311G level. Electronic correlation energies were included by using the hybrid functional B3LYP. The solvent was simulated as a continuum characterized by a dielectric constant, and the quantum system (solute) was placed in an ellipsoidal cavity. Solute-solvent electrostatic interaction was calculated by means a multipolar moment expansion introduced in the Hamiltonian. Four relevant histamine conformation…

External parameters contribution in domestic load forecasting using neural network

2015

Domestic demand prediction is very important for home energy management system and also for peak reduction in the power system network. In this work, for precise prediction of power demand, external parameters, such as temperature and solar radiation, are considered and included in the prediction model for improving prediction performance. Power prediction models for coming hours' power demand estimation are built using neural network based on hourly power consumptions data with / without ambient temperature data and global solar irradiation (GSI) data respectively. In this work, a typical Southern Norwegian household demand has been considered. As a result, both ambient temperature and GSI…