Search results for " method"
showing 10 items of 10455 documents
Experiments and predictions of the transition of the flow pattern with impeller clearance in stirred tanks
2001
In the present work, the double- to single-loop flow pattern transition in a stirred vessel equipped with a Rushton turbine is investigated by Laser Doppler anemometry (LDA). In particular, the clearance at which such transition occurs is assessed by comparing axial velocity profiles underneath the impeller. Computational fluid dynamics (CFD) simulations of the same system are carried out, by employing the 'inner-outer' fully predictive computation strategy. The comparison of predicted results with the experimental data collected shows that the transition is well reproduced by simulations. A good agreement on the mean velocities is also observed but for the impeller discharge stream angle t…
A high-resolution layer-wise discontinuous Galerkin formulation for multilayered composite plates
2020
Abstract In this work, a novel high-resolution formulation for multilayered composite plates is presented. The formulations is referred to as high-resolution since it combines (i) Layer-Wise plate theories, which are based on a per-layer, high-order expansion of the primary variables throughout the plate’s thickness, providing a detailed layer-level description of the sought solution; (ii) The discontinuous Galerkin method, a numerical approach based on a discontinuous representation of the unknown fields over the mesh elements and on the introduction of boundary integral operators enforcing inter-element continuity, which allow the natural treatment of high-order mesh elements and provide …
A non-linear Ritz method for the analysis of low velocity impact induced dynamics in variable angle tow composite laminates
2021
Abstract Variable angle tow (VAT) laminates feature composite layers reinforced by fibres following continuous curved paths and offer a wide structural design space for the manufacturing of composite components. In this work, a formulation for the analysis of the impact-induced dynamics in VAT laminated plates is proposed, implemented and tested in this work. The method is based on the adoption of first order shear deformation kinematics and includes von Karman non-linear strains. The discrete system is obtained by employing a pb-2 Ritz series expansion into the Hamilton’s variational statement, while the impact loading is modelled through Hertzian contact law. The resulting non-linear gove…
Comparison of 2D versus 3D diffusion analysis at Nanowire Electrodes: Finite element analysis and experimental study
2021
In electroanalysis, finite element simulations of electrochemical processes occurring at electrodes are used to provide key insight into experimental design in relation to diffusion profiles and expected currents. The diffusion domain approach (DDA) offers a means of reducing a three dimensional design to two dimensions to ease computational demands. However, the DDA approach can be limited when basic assumptions, for example that all electrodes in an array are equivalent, are incorrect. Consequently, to get a more realistic view of molecular diffusion to nanoelectrodes, it is necessary to undertake simulations in 3D. In this work, two and three dimensional models of electrodes comprising o…
Kramers potential study of the Rouse-like dynamics of short alkane chains.
1999
In this work we present a Kramers potential study of the orientational dynamics and shear viscosity of short chain alkanes. In this approach the determination of the orientational relaxation time is reduced to the calculation of static moments of single chain conformations. We study a chemically realistic alkane model that asymptotically produces Gaussian chain conformations by means of a Monte Carlo simulation. Our results are applicable to single chain descriptions of polymer melt dynamics and to the intrinsic viscosity of molecules in a Theta solvent. When we map the unknown time unit of our relaxation time result for one particular chain length and temperature to the value obtained for …
Monte Carlo Simulation of a Homopolymer−Copolymer Mixture Interacting with a Surface: Bulk versus Surface Micelles and Brush Formation
2008
Using Monte Carlo simulations of the bond fluctuation model, we study the formation of micelles in a confined mixture of asymmetric AB-diblock copolymers and homopolymers. The composition of the sphere-forming AB-diblock copolymers is fA = 1/8. The mixture is confined into a thin film. The film surfaces attract the minority component of the diblock with strength, eW. To efficiently sample the micelle size distribution and establish equilibrium between the surface and the bulk, we work in the semigrandcanonical ensemble, i.e. at fixed density and fixed chemical potential difference between the two types of chains, choosing a large incompatibility χN ≃ 100 (strong segregation regime). The com…
Mechanism of aluminium incorporation into C–S–H from ab initio calculations
2014
Blended cements have great potential to reduce the CO2 footprint due to cement production. C(alcium)–S(ilicate)–H(ydrate) in these novel materials is known to incorporate a considerable amount of Al. We have for the first time applied large-scale first principles calculations to address the mechanism of Al incorporation into low C/S ratio C–S–H. In agreement with state-of-the-art NMR information, our calculations show that Al substitutes Si in bridging tetrahedra only, and that substitutions in pairing tetrahedra are strongly disfavoured in a wide range of conditions. In broad terms, the energy penalty for having an Al atom in a pairing position is of about 20 kcal mol−1. Al in bridging tet…
Estimating the temperature evolution of foodstuffs during freezing with a 3D meshless numerical method
2015
Abstract Freezing processes are characterised by sharp changes in specific heat capacity and thermal conductivity for temperatures close to the freezing point. This leads to strong nonlinearities in the governing PDE that may be difficult to resolve using traditional numerical methods. In this work we present a meshless numerical method, based on a local Hermite radial basis function collocation approach in finite differencing mode, to allow the solution of freezing problems. By introducing a Kirchhoff transformation and solving the governing equations in Kirchhoff space, the strength of nonlinearity is reduced while preserving the structure of the heat equation. In combination with the hig…
Regeneration units for thermolytic salts applications in water & power production: State of the art, experimental and modelling assessment
2021
Abstract Thermolytic solutions are often proposed as high salinity or “draw” stream to generate a chemical potential driving force in Salinity Gradient Power (SGP) and Forward Osmosis (FO) technologies. Depleted “draw” solutions exiting the process can be regenerated by a thermal process powered at very-low grade heat, which is able to decompose the salt into gaseous ammonia and carbon dioxide, which can be stripped and then reabsorbed in the draw solution, restoring its initial concentration. In this work, two different experimental prototypes for the regeneration of ammonium bicarbonate aqueous solution were designed, built and tested. The effect of several operating parameters on the reg…
Quasi-isoactinic reactor for photocatalytic kinetics studies
2007
Photochemical reactors characterized by almost uniform values of the local volumetric rate of photon absorption (LVRPA), i.e., quasi-isoactinic photoreactors, are particularly suitable for assessing the influence of radiant field intensity in kinetic studies. In this work, Monte Carlo simulations have been performed to obtain LVRPA values in a flat photoreactor irradiated on both sides. This configuration appears to be particularly suitable for obtaining quasi-isoactinic conditions. The influence of catalyst albedo and scattering phase function is assessed, and the conditions for obtaining iso-actinicity are discussed. Finally, these conditions are related to an easy-to-measure parameter, n…