Search results for "dynamics."
showing 10 items of 9637 documents
Shock-capturing schemes: high accuracy versus total-variation boundedness
2007
In this reseach work we analyze the total variation growth of some high order accurate reconstruction procedures used for the design of shock capturing schemes. This study allows to measure how oscillatory a high order accurate method is in terms of the basic elementary function chosen to increase the order of accuracy. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Correlations for estimating the specific capital cost of multi-effect distillation plants considering the main design trends and operating conditions
2018
Abstract This work proposes a correlation for the specific capital cost of multi-effect distillation (MED) plants, considering their main design options and parameters, such as the number of effects, size/capacity, and heat source temperature. These parameters are varied within a large range to cover as many different cases as possible. The cost correlation decouples the evaporator cost and includes in the expression the ratio of the heat exchanger area to a reference one. This area is calculated using a validated MED numerical model, with the results then processed to produce fitted expressions. Two versions of this correlation with different levels of complexity are proposed, which provid…
D2 and H2 adsorption capacity and selectivity in CHA zeolites: Effect of Si/Al ratio, cationic composition and temperature
2020
International audience; The work deals with the effect of composition of CHA zeolites on the adsorption and separation of H2 and D2 under cryogenic temperatures. In the first part of this work the effect of Si/Al ratio and cationic composition on single gas adsorption of H2 and D2 was studied at 77.4 K. It was found that the adsorption capacities increase with Al content up to Si/Al = 2.1. Unexpectedly, Na-CHA zeolite with the highest Al content (Si/Al = 1.1) adsorbs only negligible amount because of the collapse of the zeolite structure upon dehydration at 400°C. The Na-and Li-containing chabazites with Si/Al = 2.1 possess similar adsorption capacities. In contrast, progressive replacement…
Membrane Deformation and Its Effects on Flow and Mass Transfer in the Electromembrane Processes
2019
In the membrane processes, a trans-membrane pressure (TMP) may arise due to design features or operating conditions. In most applications, stacks for electrodialysis (ED) or reverse electrodialysis (RED) operate at low TMP (<
Analytic evaluation of Raman intensities in coupled-cluster theory
2007
We present the first implementation for the analytic calculation of polarizability derivatives using coupled-cluster theory. These derivatives are related to the intensity of bands seen in Raman spectroscopy, and are therefore important quantities that can also be measured experimentally. The required theory of analytic third derivatives is discussed and also connected to response theory to allow the calculation of frequency-dependent quantities. This work includes the use of a string-based general coupled-cluster/configuration-interaction program which makes the calculation of Raman intensities for arbitrary coupled-cluster or configuration-interaction methods up to the full configuration-…
Novel synthesis of up-conversion phosphor based on rare-earth doped NaLaF4
2011
In this work Er3+ doped NaLaF4 material has been synthesized Along with the description of the synthesis route, luminescence spectra and decay kinetics of both traditional and up-conversion luminescence of Er3+ will be presented for different Er3+ doping levels. It will be shown that the main mechanisms involved in the creation of the up-conversion luminescence in NaLaF4:Er3+ under excitation at about 975 nm are excited state absorption and energy transfer. Relative impact of either of the mechanisms in NaLaF4:Er3+ depends on both the concentration of Er3+ and on the excitation wavelength: the increase of either the concentration or the excitation wavelength leads to the prevalence of energ…
Solvent structure and dynamics: How relevant to molecular and quantum pharmacology?
1989
A close scrutiny of the relationship between geometric constraints and motion in a system of water molecules allows the prediction of a role of solvent dynamics in the solvent-mediated interaction between two solutes and between different parts of one solute. The predicted mechanism is cooperative, and its operation is widely supported by experiments (not only by our group) in which solvent dynamics were modulated by isotopic or cosolvent perturbations. More recent experimental work by our group and simulation work of MCY water by Fornili et al, strengthens this evidence and visualizes how an immobilized water molecule can “seed” or “pin” a high-connectivity patch of H bonds. Involvement of…
Singular points of electrochemical impedance function
2004
A model of EIS response for a system with two consecutive monoelectron transfers is developed in this work. Relevant information on the mechanism of these electrochemical systems is provided by the parametrical identification of the theoretical faradaic impedance function. The kinetic parameters of this model are easily calculated through the calculus of the characteristic points of this function. This calculus allows to interpret the metals anodic dissolution according to the reaction mechanism and, therefore, allows us to establish easily the kinetic and thermodynamic behaviour of these systems with respect to any experimental parameter.
Thermodynamics and Kinetics of Adsorption of Gaseous Single Cl/Br-VOCs of the Ethane Series onto Siliceous ZSM-5 at 25 °C. Prediction of the Adsorpti…
2001
This work deals with a thermodynamic and kinetic experimental study of adsorption of gaseous single Cl/Br-VOCs (1,2-dichloroethane, 1-bromo-2-chloroethane, and 1,2-dibromoethane) onto siliceous ZSM-5 at 25 °C. The adsorbed amounts, adsorption heats, and diffusivities were simultaneously obtained. The isotherms were of the type I and verified Henry's law in a very large domain of filling. The adsorption heats and the diffusivities of the brominated molecules displayed specific behaviors probably owing to a transport resistance. The comparison of the relative position of isotherms and the adsorption heats allowed us to predict that the competitive adsorption of their mixture would be similar …
Transport coefficients in desalting processes by electrodialysis
2011
Abstract In this work a thermodynamic analysis on the transport equations in the processes of electrodiffusion (EF) and electrodialysis (ED) has been developed. The transport equations are classified in two sets according to the information they contain: i ) fundamental and ii ) complementary. We determine that there are four fundamental transport coefficients needed to characterize these membrane systems. We also conclude that this number is not reduced to three when the Onsager reciprocal relation (ORR) is assumed. I have also obtained a new expression for the concentration rate in EF and ED processes from the mass and volume balance. This relation provides a new way for evaluating the ap…