Numerical modeling of chlorine concentration in water storage tanks

In this paper, we describe a numerical model to simulate the evolution in time of the hydrodynamics of water storage tanks, with particular emphasis on the time evolution of chlorine concentration. The mathematical model contains several ingredients particularly designed for this problem, namely, a boundary condition to model falling jets on free surfaces, an arbitrary Lagrangian–Eulerian formulation to account for the motion of the free surface because of demand and supply of water, and a coupling of the hydrodynamics with a convection–diffusion–reaction equation modeling the time evolution of chlorine. From the numerical point of view, the equations resulting from the mathematical model are approximated using a finite element formulation, with linear continuous interpolations on tetrahedra for all the unknowns. To make it possible, and also to be able to deal with convection‐dominated flows, a stabilized formulation is used. In order to capture the sharp gradients present in the chlorine concentration, particularly near the injection zone, a discontinuity capturing technique is employed. Copyright © 2015 John Wiley & Sons, Ltd.     

Residual‐based stabilization of the finite element approximation to the acoustic perturbation equations for low Mach number aeroacoustics

The acoustic perturbation equations (APE) are suitable to predict aerodynamic noise in the presence of a non‐uniform mean flow. As for any hybrid computational aeroacoustics approach, a first computational fluid dynamics simulation is carried out from which the mean flow characteristics and acoustic sources are obtained. In a second step, the APE are solved to get the acoustic pressure and particle velocity fields. However, resorting to the finite element method (FEM) for that purpose is not straightforward. Whereas mixed finite elements satisfying an appropriate inf–sup compatibility condition can be built in the case of no mean flow, that is, for the standard wave equation in mixed form, these are difficult to implement and their good performance is yet to be checked for more complex wave operators. As a consequence, strong simplifying assumptions are usually considered when solving the APE with FEM. It is possible to avoid them by resorting to stabilized formulations. In this work, a residual‐based stabilized FEM is presented for the APE at low Mach numbers, which allows one to deal with the APE convective and reaction terms in its full extent. The key of the approach resides in the design of the matrix of stabilization parameters. The performance of the formulation and the contributions of the different terms in the equations are tested for an acoustic pulse propagating in sheared‐solenoidal mean flow, and for the aeolian tone generated by flow past a two‐dimensional cylinder. Copyright © 2016 John Wiley & Sons, Ltd.     

Analysis of a pressure-stabilized finite element approximation of the stationary Navier-Stokes equations

Summary. The purpose of this paper is to analyze a finite element approximation of the stationary Navier-Stokes equations that allows the use of equal velocity-pressure interpolation. The idea is to introduce as unknown of the discrete problem the projection of the pressure gradient (multiplied by suitable algorithmic parameters) onto the space of continuous vector fields. The difference between these two vectors (pressure gradient and projection) is introduced in the continuity equation. The resulting formulation is shown to be stable and optimally convergent, both in a norm associated to the problem and in the norm for both velocities and pressure. This is proved first for the Stokes problem, and then it is extended to the nonlinear case. All the analysis relies on an inf-sup condition that is much weaker than for the standard Galerkin approximation, in spite of the fact that the present method is only a minor modification of this. Received May 25, 1998 / Revised version received August 31, 1999 / Published online July 12, 2000     

Approximation of the inductionless MHD problem using a stabilized finite element method

In this work, we present a stabilized formulation to solve the inductionless magnetohydrodynamic (MHD) problem using the finite element (FE) method. The MHD problem couples the Navier–Stokes equations and a Darcy-type system for the electric potential via Lorentz’s force in the momentum equation of the Navier–Stokes equations and the currents generated by the moving fluid in Ohm’s law. The key feature of the FE formulation resides in the design of the stabilization terms, which serve several purposes. First, the formulation is suitable for convection dominated flows. Second, there is no need to use interpolation spaces constrained to a compatibility condition in both sub-problems and therefore, equal-order interpolation spaces can be used for all the unknowns. Finally, this formulation leads to a coupled linear system; this monolithic approach is effective, since the coupling can be dealt by effective preconditioning and iterative solvers that allows to deal with high Hartmann numbers.     

Development and validation of a GC-MS method for rapid determination of galanthamine in Leucojum aestivum and Narcissus ssp.: a metabolomic approach

Galanthamine, an acetylcholinesterase inhibitor marketed as a hydrobromide salt for the treatment of Alzheimer's disease, is obtained from some Amaryllidaceae plants. A new method was developed and validated for its quantification by GC-MS in different plant sources: bulbs and leaves from Narcissus confusus; bulbs from N. pseudonarcissus cv. Carlton; and leaves and in vitro cultures from L. aestivum. Samples (50 mg) were extracted with methanol (1 mL) for 2 h, then aliquots of the extracts were silylated and analyzed by GC-MS. The calibration line was linear over a range of 15-800 μg galanthamine/sample, ensuring an analysis of samples with a content of 0.03-1.54% analyte referred to dry weight. The recovery was generally more than 95%. Good inter- and intra assay precision was observed (RSD < 3%). Principal component analysis of GC-MS chromatograms allowed discrimination of the plant raw material with respect to species, organs and geographical regions. The analytical method developed in this study proved to be simple, sensitive and far more informative than the routine analytical methods (GC, HPLC, CE and NMR), so it may be useful for quality control of plant raw materials in the pharmaceutical industry.     

Approximation of the steepest descent direction for the O-D matrix adjustment problem

In this paper, a method to approximate the directions of Clarke's generalized gradient of the upper level function for the demand adjustment problem on traffic networks is presented. Its consistency is analyzed in detail. The theoretical background on which this method relies is the known property of proximal subgradients of approximating subgradients of proximal bounded and lower semicountinuous functions using the Moreau envelopes. A double penalty approach is employed to approximate the proximal subgradients provided by these envelopes. An algorithm based on partial linearization is used to solve the resulting nonconvex problem that approximates the Moreau envelopes, and a method to verify the accuracy of the approximation to the steepest descent direction at points of differentiability is developed, so it may be used as a suitable stopping criterion. Finally, a set of experiments with test problems are presented, illustrating the approximation of the solutions to a steepest descent direction evaluated numerically. Research supported under Spanish CICYT project TRA99-1156-C02-02.     

A finite element model for the simulation of lost foam casting

In this paper, we present a numerical model to simulate the lost foam casting process. We introduce this particular casting first in order to capture the different physical processes in play during a casting. We briefly comment on the possible physical and numerical models used to envisage the numerical simulation. Next we present a model which aims to solve ‘part of’ the complexities of the casting, together with a simple energy budget that enables us to obtain an equation for the velocity of the metal front advance. Once the physical model is established we develop a finite element method to solve the governing equations. The numerical and physical methodologies are then validated through the solution of a two‐ and a three‐dimensional example. Finally, we discuss briefly some possible improvements of the numerical model in order to capture more physical phenomena. Copyright © 2004 John Wiley & Sons, Ltd.     

Characterization of acylated flavonoid-O-glycosides and methoxylated flavonoids from Tagetes maxima by liquid chromatography coupled to electrospray ionization tandem mass spectrometry

Liquid chromatography coupled to negative electrospray ionization (ESI) tandem mass spectrometry (MS/MS) employing a triple quadrupole mass spectrometer was used in the structural determination of acylated flavonoid-O-glycosides and methoxylated flavonoids occurring in Tagetes maxima. The compounds were identified by experiments in full scan mode (MS), and tandem mass experiments (MS/MS) of precursor ion scan, product ion scan, and neutral loss scan modes. In order to characterize the aglycones of the flavonoid glycosides, in-source fragmentation of the deprotonated molecule [M-H]- followed by product ion scan of the resulting aglycone [A-H]- were performed. This combined approach allowed the identification of 51 phenolic compounds, including flavonoid-O-glycosides acylated with galloyl, protocatechuoyl, coumaroyl or caffeoyl groups, methoxylated flavonoids, and hydroxycinnamic acid and phenolic acid derivatives, none of them previously reported in Tagetes maxima.     

The Fixed‐Mesh ALE approach for the numerical simulation of floating solids

In this paper, we propose a method to solve the problem of floating solids using always a background mesh for the spatial discretization of the fluid domain. The main feature of the method is that it properly accounts for the advection of information as the domain boundary evolves. To achieve this, we use an arbitrary Lagrangian–Eulerian framework, the distinctive characteristic being that at each time step results are projected onto a fixed, background mesh. We pay special attention to the tracking of the various interfaces and their intersections, and to the approximate imposition of coupling conditions between the solid and the fluid. Copyright © 2010 John Wiley & Sons, Ltd.