Computational Modeling
Mostrando 1-12 de 480 artigos, teses e dissertações.
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1. A computational modeling method for root canal endoscopy using a specific CBCT filter: A new era in the metaverse of endodontics begins
Resumo Uma revolução tecnológica contemporânea deu início a uma nova era no metaverso da Endodontia, um mundo de possibilidades operacionais virtuais que utilizam uma réplica exata das estruturas naturais do complexo dentomaxilofacial. Este estudo descreve um método de modelagem computacional para a endoscopia do canal radicular, usando um moderno sof
Brazilian Dental Journal. Publicado em: 2022
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2. SYNTHESIS, CHARACTERIZATION, DFT MODELING AND IN VITRO ANTIMYCOBACTERIAL ACTIVITY ASSAYS OF A SILVER(I)-ISONIAZID COMPLEX
In the present work, a silver(I) complex with the antimycobacterial drug isoniazid (inh) is described. Elemental and thermogravimetric analyses confirmed a 1:1 metal:ligand ratio for the silver-isoniazid (Ag-inh) complex with molecular composition AgC6H7N3O·NO3. Infrared (IR) analysis suggests a bidentate coordination of isoniazid to silver by the nitrogen
Quím. Nova. Publicado em: 2021-03
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3. CHLORDECONE ADSORPTION ON FUNCTIONALIZED ACTIVATED CARBONS: COMPUTATIONAL CHEMISTRY AS A TOOL FOR UNDERSTANDING THE ADSORPTION PROCESS
Chlordecone (CLD) has been used as a pesticide for a long time to control the proliferation of various insects in tropical countries like the French West Indies. CLD was included in 2009 in the list of persistent organic pollutants (POPs) by the Stockholm Convention, prohibiting its production and use worldwide. Thus, its removal from water and soils is a sa
Quím. Nova. Publicado em: 2021-02
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4. CURCUMINA COMO INDICADOR NATURAL DE PH: UMA ABORDAGEM TEÓRICA-EXPERIMENTAL PARA O ENSINO DE QUÍMICA
This paper proposes the development of a simple experiment with easily accessible and low cost materials, enabling its practice with or without laboratory infrastructure, with feasibility for computational theoretical study. On the other hand, the objective of the work is to develop a chemical experiment that demonstrates that the chromophore curcumin (natur
Quím. Nova. Publicado em: 2021-02
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5. Discrete element modeling of non-spherical particles using a spherical shape
Abstract Real non-spherical particles can be modeled using the Discrete Element Method (DEM) with sphere clusters, superquadrics, or polyhedral particles. However, in applications involving a considerable number of particles, the analysis can become impracticable. The goal of this study is to demonstrate how well spherical particles can reproduce the flow of
REM, Int. Eng. J.. Publicado em: 2020-09
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6. A NEW COMPUTATIONAL FLUID DYNAMICS STUDY OF A LIQUID-LIQUID HYDROCYCLONE IN THE TWO PHASE CASE FOR SEPARATION OF OIL DROPLETS AND WATER
Abstract A liquid-liquid hydrocyclone, so-called de-oiling equipment, was investigated for separation of oil droplets and wastewater in an Iranian petroleum unit. To generate the geometry and the mesh of the hydrocyclone Gambit software was used. Afterwards, by taking advantage of the Euler-Lagrangian principle, the governing equations covering the motion of
Braz. J. Chem. Eng.. Publicado em: 13/01/2020
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7. Numerical implementation of a micromechanics-based viscoelastic model for geomaterials with isotropically distributed micro-fractures
Abstract The constitutive behavior of geomaterials is generally affected by the presence at different scales of discontinuity surfaces with different sizes and orientations. According to their mechanical behavior, such discontinuities can be distinguished as cracks or fractures. Fractures are interfaces that can transfer normal and tangential stresses, where
Lat. Am. j. solids struct.. Publicado em: 25/11/2019
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8. SOIL COMPACTION AND THE STABILITY OF LEVEES OF AQUACULTURE PONDS
ABSTRACT The aim of this work was to evaluate the effects of variations in soil compaction on the stability of the slope embankments of fish farms used in aquaculture. Computational modeling was performed using the RocScience Slide 6.0 program, simulating filling scenarios, fast lowering and stationary regimes for the full operation of the fish farms. The da
Eng. Agríc.. Publicado em: 04/11/2019
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9. THERMAL PERFORMANCE OF ONE-PASS SHELL-AND-TUBE HEAT EXCHANGERS IN COUNTER-FLOW
Abstract A computational methodology is proposed and applied to calculate the temperature effectiveness, P, and the logarithmic mean temperature difference (LMTD) correction factor, F, of TEMA E shell-and-tube heat exchangers with one-pass and fluids flowing in counter-flow. An arbitrary number of baffles is considered along with three different mixture cond
Braz. J. Chem. Eng.. Publicado em: 30/09/2019
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10. Numerical Simulation of Atom-Transfer Radical Polymerization of tert-butyl Methacrylate
Block copolymers based on tert-butyl methacrylate (tBMA) have many uses, such as thermo‐responsive polymers, amphiphilic copolymers, and many applications in the medical field. Atom-transfer radical polymerization (ATRP) is the main technique to produce these controlled macromolecular architectures. This paper provides a simplified kinetic modeling and com
Mat. Res.. Publicado em: 02/09/2019
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11. Application of an alternative mesh morphing method on the numerical modeling of oscillating wave surge converters
RESUMO Uma das tecnologias capazes de explorar a energia das ondas, baseada na captação das componentes horizontais do movimento destas, aliada a um sistema placa-pistão, vem experimentando um notável desenvolvimento ao longo dos últimos anos, tal dispositivo é conhecido como conversor oscilante por translação de ondas. Este possui um grande potencia
RBRH. Publicado em: 29/07/2019
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12. SENSITIVITY ANALYSIS FOR MODEL COMPARISON AND SELECTION IN TISSUE ENGINEERING
ABSTRACT Computational modeling has been proven to be very useful in tissue engineering over the past years. Because the model is a simplification of the experimental system, the processes accounted for in the model should be analyzed carefully. However, new and complex models are usually proposed without a clear comparison with the basic ones. In this study
Braz. J. Chem. Eng.. Publicado em: 15/07/2019