Roll waves evolution in high gradient channels to a non-Newtonian rheology

The criteria for the occurrence of roll wave phenomenon in the supercritical and turbulent Newtonian and non-Newtonian flows from the engineering point of view was analyzed. Imposing a constant discharge at the upstream of the canal and superposing a small perturbation, it was observed that roll waves can be developed more easily for small wave numbers and for high cohesions. Moreover, from the mathematical model used, it was demonstrated that the numerical viscosity was 10 times the physical viscosity.

Rheology and fluid dynamics properties of sugarcane juice

The sugarcane juice is a relatively low-cost agricultural resource, abundant in South Asia, Central America and Brazil, with vast applications in producing ethanol biofuel. In that way, a good knowledge of the rheological properties of this raw material is of crucial importance when designing and optimizing unit operations involved in its processing. In this work, the rheological behavior of untreated (USCJ, 17.9 °Brix), clarified (CSCJ, 18.2 °Brix) and mixed (MSCJ, 18.0 °Brix) sugarcane juices was studied at the temperature range from 277K to 373K, using a cone-and-plate viscometer. These fluids were found to present a Newtonian behavior and their flow curves were well-fitted by the viscosity Newtonian model. Viscosity values lied within the range 5.0×10 -3Pas to 0.04×10 -3Pas in the considered temperature interval. The dependence of the viscosity on the temperature was also successfully modeled through an Arrhenius-type equation. In addition to the dynamic viscosity, experimental values of pressure loss in tube flow were used to calculate friction factors. The good agreement between predicted and measured values confirmed the reliability of the proposed equations for describing the flow behavior of the clarified and untreated sugarcane juices. © 2010 Elsevier B.V.

Computational analysis and physico-chemical characterization of an inclusion compound between praziquantel and methyl-beta-cyclodextrin for use as an alternative in the treatment of schistosomiasis

Schistosomiasis is still an endemic disease in many regions, with 250 million people infected with Schistosoma and about 500,000 deaths per year. Praziquantel (PZQ) is the drug of choice for schistosomiasis treatment, however it is classified as Class II in the Biopharmaceutics Classification System, as its low solubility hinders its performance in biological systems. The use of cyclodextrins is a useful tool to increase the solubility and bioavailability of drugs. The aim of this work was to prepare an inclusion compound of PZQ and methyl-beta-cyclodextrin (MeCD), perform its physico-chemical characterization, and explore its in vitro cytotoxicity. SEM showed a change of the morphological characteristics of PZQ:MeCD crystals, and IR data supported this finding, with changes after interaction with MeCD including effects on the C-H of the aromatic ring, observed at 758 cm(-1). Differential scanning calorimetry measurements revealed that complexation occurred in a 1:1 molar ratio, as evidenced by the lack of a PZQ transition temperature after inclusion into the MeCD cavity. In solution, the PZQ UV spectrum profile in the presence of MeCD was comparable to the PZQ spectrum in a hydrophobic solvent. Phase solubility diagrams showed that there was a 5.5-fold increase in PZQ solubility, and were indicative of a type A(L) isotherm, that was used to determine an association constant (K(a)) of 140.8 M(-1). No cytotoxicity of the PZQ:MeCD inclusion compound was observed in tests using 3T3 cells. The results suggest that the association of PZQ with MeCD could be a good alternative for the treatment of schistosomiasis.

A computational tool to assist the analysis of the transformer behavior related to lightning

This paper proposes the application of computational intelligence techniques to assist complex problems concerning lightning in transformers. In order to estimate the currents related to lightning in a transformer, a neural tool is presented. ATP has generated the training vectors. The input variables used in Artificial Neural Networks (ANN) were the wave front time, the wave tail time, the voltage variation rate and the output variable is the maximum current in the secondary of the transformer. These parameters can define the behavior and severity of lightning. Based on these concepts and from the results obtained, it can be verified that the overvoltages at the secondary of transformer are also affected by the discharge waveform in a similar way to the primary side. By using the tool developed, the high voltage process in the distribution transformers can be mapped and estimated with more precision aiding the transformer project process, minimizing empirics and evaluation errors, and contributing to minimize the failure rate of transformers. (C) 2011 Elsevier Ltd. All rights reserved.

Monte Carlo thermodynamic and structural properties of the TIP4P water model: dependence on the computational conditions

Classical Monte Carlo simulations were carried out on the NPT ensemble at 25°C and 1 atm, aiming to investigate the ability of the TIP4P water model [Jorgensen, Chandrasekhar, Madura, Impey and Klein; J. Chem. Phys., 79 (1983) 926] to reproduce the newest structural picture of liquid water. The results were compared with recent neutron diffraction data [Soper; Bruni and Ricci; J. Chem. Phys., 106 (1997) 247]. The influence of the computational conditions on the thermodynamic and structural results obtained with this model was also analyzed. The findings were compared with the original ones from Jorgensen et al [above-cited reference plus Mol. Phys., 56 (1985) 1381]. It is notice that the thermodynamic results are dependent on the boundary conditions used, whereas the usual radial distribution functions g(O/O(r)) and g(O/H(r)) do not depend on them.

Strand Analysis, a free online program for the computational identification of the best RNA interference (RNAi) targets based on Gibbs free energy

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Structural studies of prephenate dehydratase from Mycobacterium tuberculosis H37Rv by SAXS, ultracentrifugation, and computational analysis

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Wavelet-Galerkin method for one-dimensional elastoplasticity and damage problems: Constitutive modeling and computational aspects

This work presents an analysis of the wavelet-Galerkin method for one-dimensional elastoplastic-damage problems. Time-stepping algorithm for non-linear dynamics is presented. Numerical treatment of the constitutive models is developed by the use of return-mapping algorithm. For spacial discretization we can use wavelet-Galerkin method instead of standard finite element method. This approach allows to locate singularities. The discrete formulation developed can be applied to the simulation of one-dimensional problems for elastic-plastic-damage models. (C) 2007 Elsevier B.V. All rights reserved.

Growth mechanism of octahedron-like BaMoO4 microcrystals processed in microwave-hydrothermal: Experimental observations and computational modeling

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Re-examination of the anion derivatives of isoflavones by radical fragmentation in negative electrospray ionization tandem mass spectrometry: experimental and computational studies

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Criteria for mixed grids in computational fluid dynamics

The finite volume method is used as a numerical method for solving the fluid flow equations. This method is appropriate to employ under structured and unstructured meshes. Mixed grids, combining both types of grids, are investigated. The coupling of different grids is done by overlapping strategy. The computational effort for the mixed grid is evaluated by the CPU-time, with different percentage of covering area of the unstructured mesh. The present scheme is tested for the driven cavity problem, where the incompressible fluid is integrated by calculating the velocity fields and computing the pressure field in each time step. Several schemes for unstructured grid are examined, and the compatibility condition is applied to check their consistency. A scheme to verify the compatibility condition for the unstructured grids is presented. (c) 2006 IMACS. Published by Elsevier B.V. All rights reserved.

Solids rheology for dehydrated food and biological materials

Mechanical properties of food products and biological materials are greatly affected by the drying process and are considered one of the most important quality attributes of dehydrated products. The aim of this work was to review theoretical principles and mathematical modeling, analyzing the measurement techniques and major experimental results that exist in the literature about rheological properties of dehydrated foods and biological materials. Different methods of measuring rheological parameters (fundamental and empiric or imitative) are discussed and major experimental results, as well as the rheological models used in their analysis, published in recent years are presented.

Laminar flow of soursop juice through concentric annuli: Friction factors and rheology

Laminar axial flow of a pseudoplastic fluid food (soursop, juice) in annular ducts has been experimentally investigated. In the first part of the manuscript, the rheological behavior of soursop juice, being essential for the annular flow analysis, was completely determined from 9.3 to 49.4 degrees Brix and temperatures from 0.4 degrees C to 68.8 degrees C, using a rotational rheometer equipped with coaxial cylinders. In order to test the adequacy of the rheology results, pressure loss data in the laminar pipe flow were collected and then experimental and theoretical friction factors were compared, showing excellent agreement, which indicated the reliability of the Power-Law model for describing the soursop juices. In the second part, pressure loss in annular regions was measured and used to estimate friction factors, which were then compared to those resulted from analytical and semi-analytical equations. The principal contributions of this article are to provide a review on the determination of friction factors-Reynolds number of pseudoplastic fluids in annuli, and also supply extensive new experimental data on the rheological properties and pressure loss of an important shear-thinning fluid food, which is of particular interest for the food engineering process design. (c) 2006 Elsevier Ltd. All rights reserved.