Search results for "dynamics."
showing 10 items of 9637 documents
Design of carborane molecular architectures via electronic structure computations
2009
10 pags, 9 figs
Combined effect of solvent content, temperature and pH on the chromatographic behaviour of ionisable compounds.
2008
The organic solvent content and the pH in the mobile phase are the usual main factors in reversed-phase liquid chromatographic separations, owing to their strong effects on retention and/or selectivity. Temperature is often neglected. However, even in cases where the impact of this factor on selectivity is minor, the reduction in analysis time is still an interesting reason to consider it. In addition, ionisable compounds may exhibit selectivity changes, owing to the interaction of organic solvent and/or temperature with pH. The separation of ionisable compounds (nine diuretics: bendroflumethiazide, benzthiazide, bumetanide, chlorthalidone, furosemide, piretanide, probenecid, trichloromethi…
Non-uniform Sediment Transport Estimation in Non-equilibrium Situations: Case Studies
2014
Abstract Quantitative estimate of sediment transport in alluvial channels is one of the most important task in river engineering. Even today, numerical models of sediment transport processes are confronted with some difficulties, often of conceptual nature. One of these difficulties is the simulation of non-uniform sediment transport in non-equilibrium situations, which requires the characterization of the ability of the alluvial system to immediately overcome the variations of the sediment boundary conditions. In this work a 1-D numerical model, which includes a new expression of the so-called “adaptation coefficient”, has been applied to test its capability to simulate the transient bed p…
Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects
2012
International audience; We present a detailed study on the finite size scaling behaviour of thermodynamic properties for small systems of particles embedded in a reservoir. Previously, we derived that the leading finite size effects of thermodynamic properties for small systems scale with the inverse of the linear length of the small system, and we showed how this can be used to describe systems in the thermodynamic limit [Chem. Phys. Lett. 504, 199 (2011)]. This approach takes into account an effective surface energy, as a result of the non-periodic boundaries of the small embedded system. Deviations from the linear behaviour occur when the small system becomes very small, i.e. smaller tha…
Structural, energetic and kinetic database of catalytic reactions: Benzyl alcohol to benzaldehyde oxidation on MnOx clusters
2021
Abstract Data here reported are connected with the research article “Benzyl Alcohol to Benzaldehyde Oxidation on MnO x Clusters: Unraveling Atomistic Features” Gueci et al. [1] . This work described and discussed structural and energetic results, calculated by Density Functional Theory (DFT). In order to get kinetic information, DFT results were refined by an original approach, which will be shortly described in the following article. The crossed analysis of experimental and computational energetic and kinetic data allowed to (i) reconstruct the complicated lattice that connects the primary and secondary mechanisms of the reaction and (ii) identify alternative process pathways capable of by…
Forecasting the Cell Temperature of PV Modules with an Adaptive System
2013
The need to reduce energy consumptions and to optimize the processes of energy production has pushed the technology towards the implementation of hybrid systems for combined production of electric and thermal energy. In particular, recent researches look with interest at the installation of hybrid system PV/T. To improve the energy performance of these systems, it is necessary to know the operating temperature of the photovoltaic modules. Furthermore, when photovoltaic (PV) systems replace the traditional building envelope materials and they are fully integrated (building integrated photovoltaic (BIPV)), it is very important to correctly assess their thermal behaviour. The determination of …
Optical properties of TiO2 suspensions: Influence of pH and powder concentration on mean particle size
2007
WOS: 000250584100025
A reaction engineering approach to kinetic analysis of photocatalytic reactions in slurry systems
2016
Abstract The knowledge of the rate equation is fundamental for the assessment of the activity of the photocatalytic material and for the study, design and optimization of photocatalytic reactors. In the case of photocatalytic reactions, the local volumetric rate of photon absorption (LVRPA) affects the reaction rate and its inherently uneven distribution within a “slurry” reactor makes complex a correct kinetic analysis. In the present work it is shown which are the critical aspects of the kinetic analysis in slurry reactors and how to carry out photocatalytic experiments to minimize the misinterpretations of the experimental results. In particular, the influence of the type of illumination…
Energy harvesting by waste acid/base neutralization via bipolar membrane reverse electrodialysis
2020
Bipolar Membrane Reverse Electrodialysis (BMRED) can be used to produce electricity exploiting acid-base neutralization, thus representing a valuable route in reusing waste streams. The present work investigates the performance of a lab-scale BMRED module under several operating conditions. By feeding the stack with 1 M HCl and NaOH streams, a maximum power density of ~17 W m−2 was obtained at 100 A m−2 with a 10-triplet stack with a flow velocity of 1 cm s−1, while an energy density of ~10 kWh m−3 acid could be extracted by a complete neutralization. Parasitic currents along feed and drain manifolds significantly affected the performance of the stack when equipped with a higher number of t…
A mathematical tool for describing the behaviour of a dense effluent discharge
2009
In many cases a dense effluent has to be discharged in the environment with possible harmful consequences. The preferred design for the relevant discharge unit is that of a simple or multi-port diffuser issuing jets at a given inclination above the horizontal. This work presents the follow-on developments of a model previously proposed to predict the behaviour of inclined dense jets issuing in a stagnant environment. It consists of a set of three ordinary differential equations that can be solved by standard numerical methods. Model outputs include information on the trajectory, spreading and dilution of inclined dense jets, return point position and concentration. Interestingly the model a…