Navegando por Assunto "Carbon nanotube"
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Tese Acesso aberto (Open Access) Biocompósito a partir de PLA, Biovidro e Nanotubos de Carbono por Impressão 3D visando Regeneração Óssea(Universidade Federal do Pará, 2023-03-31) VASCONCELOS, Esleane Vilela; REIS, Marcos Allan Leite; http://lattes.cnpq.br/8252507933374637; https://orcid.org/0000-0003-2226-2653; CANDIDO, Verônica Scarpini; http://lattes.cnpq.br/8274665115727809; https://orcid.org/0000-0002-3926-0403Bone involvement promoted by aging and accidents has aroused interest in biomaterials and technologies for bone regeneration purposes. Thus, 3D printing technology gained prominence in the production of scaffolds due to its versatility in the production of complex geometries with interconnected pores. In this work, scaffolds composed of poly (lactic acid) (PLA), bioglass (BV) and carbon nanotubes (NTC) were produced by 3D printing, using hexagonal geometry, similar to honeycomb, interleaved. Poly (lactic acid) is a biopolymer already used in biomaterials, while bioglass has proven to be an excellent strategy for use in bone regeneration due to its excellent properties of biocompatibility, bioactivity and osteointegration, however they have low mechanical resistance and carbon nanotubes have shown excellent mechanical reinforcement in composite biomaterials. Thus, the main objective of this study was to produce and characterize a biocomposite of PLA, bioglass and carbon nanotubes by 3D printing and to study its chemical structure, crystallineity and morphology, using fourier transform infrared spectroscopy, Raman spectroscopy, X-ray diffraction and scanning electron microscope. The thermal stability of the composite was evaluated by thermogravimetry, mechanical properties by compression tests and cell viability was determined by the Alamar Blue test. The bioglass was synthesized by sol-gel method presenting bioactive phases of silicate. The scaffolds were produced by 3D printing with hexagonal structures in honeycomb in PLA, PLA/BV and PLA/NTC that were impregnated with bioglass on its surface. The results of the scaffolds demonstratedinterconnected and well-defined pores, ranging from 130 μm to 800 μm. Raman spectroscopy confirmed the interaction of BV in the polymer matrix through new peaks in the spectrum between 1400 and 2600 cm-1 and the presence of the D, G and 2D bands of NTC. In the compression assay, PLA scaffolds with 2 mm diameter showed higher compression stress of 14.88 ± 2.35 MPa, while PLA/NTC higher modulus of apparent compression, 0.58 ± 0.36 GPa. In cell viability, statistical tests showed that there was no significant difference between scaffolds with 2 and 4 mm diameter. The results reveal promising results for the use of 3D printed composites in bone repair sponges. Thus, we suggest the composite of PLA/NTC of 4mm impregnated with BV on the surface as the best bone substitute, however, the application in implants remains limited in relation to osteogenic integration.Tese Acesso aberto (Open Access) Desenvolvimento de ligas de alumínio nanoestruturadas para a utilização em cabos elétricos(Universidade Federal do Pará, 2023-03-15) PRAZERES, Emerson Rodrigues; SOUZA, José Antônio da Silva; http://lattes.cnpq.br/6157348947425968; BRAGA, Eduardo de Magalhães; http://lattes.cnpq.br/4783553888547500Aluminum nanocomposites demonstrate the ability to improve mechanical properties, thermal and electrical conductivity. For aluminum, the incorporation of multi-walled carbon nanotubes (NTCPM) using conventional melting methods is an old problem, due to disintegration of the walls of carbon nanotubes when subjected to high temperatures. In this study, aluminum nanocomposites were manufactured by the conventional casting method, using stainless steel powder (304LSS), nanostructured silicon and nickel. The carbon nanotubes were treated with hydrogen peroxide, allowing adhesion by polar interaction with the particles of the metallic powders. The nanostructured compounds were added to the aluminum matrix by means of conventional casting. After obtaining the material as a melt, it went through the machining process to a diameter of 18.5 mm and then through the cold working process until a diameter of 3.0 mm was obtained. The alloys were characterized mechanically through tensile and microhardness tests, electrically through electrical resistance tests, using a 2-point kelvin bridge, and structurally through macrostructure and microstructure analyses. The 304LSS powder added alloying elements, refined the grains and the NTC improved electrical conductor performance, with electrical conductivity gains in the range of 10%. Associates associated with carbon-associated components not linked to chains of protein chains are compounds of carbon, associated with proteins, aggregates, associated with carbon, associated with proteins, associated with significant proteins in the LRT. The alloys with Ni and carbon nanotubes contributed to significant gains in electrical conductivity and LRT, with the alloy with 2% nickel and 0.1% NTC showing gains of approximately 8% in electrical and mechanical properties. Nanostructured alloys were also superior in terms of electrical and mechanical properties than commercial alloys.Dissertação Acesso aberto (Open Access) Dinâmica molecular de armazenamento de H2 em nanotubos de carbono sob ação de campo elétrico externo(Universidade Federal do Pará, 2016-01-27) AIRES, Júlio Cesar Nunes; CHAVES NETO, Antônio Maia de Jesus; http://lattes.cnpq.br/3507474637884699; https://orcid.org/0000-0002-9730-3512Several thermodynamic properties were analyzed through computer simulations systems, in which we used a carbon nanotube a gas molecule (H2), the very low initial temperature of 10-3K order. This H2 molecule was chosen because of its properties are of great application in different branches of study, the physical sciences, chemical and biological. The H2 molecule is individually relaxed inside and outside the nanotube during simulations. Each system was under the influence of a uniform electric field parallel to the carbon nanotube and the thermal effect on the initial temperature in the simulations generating the evanescent effect. Due to the electric field, the molecule rotates at a low temperature in orbit about the carbon nanotube while increasing the value of the electric field permitted the variation of the radius of the orbit atoms. The calculated amounts were the following: kinetic energy, potential energy, the total energy, temperature variation in situ, the molar entropy and the mean radius of the orbit atoms. The data suggest the action of the electric field is sufficient only to generate the evanescent attractive potential and this system can be used as a sensor selector atoms.Tese Acesso aberto (Open Access) Manufatura aditiva de biocompósitos a partir de ácido poliláctico reforçado por hidroxiapatita e nanotubos de carbono para regeneração de tecido ósseo(Universidade Federal do Pará, 2024-01-22) BELO, Francilene da Luz; REIS, Marcos Allan Leite dos; http://lattes.cnpq.br/8252507933374637; CANDIDO, Verônica Scarpini; http://lattes.cnpq.br/8274665115727809Bone tissue is one of the most important tissues in the human body. Unfortunately, some traumatic events can cause fractures that can lead to temporary or permanent disability. Scaffolds are some of the materials that help in the treatment of these fractures, as they play an important role in the bone repair process and can be manufactured by 3D printing. Polylactic acid (PLA), as it is biodegradable, is one of the materials used in the production of scaffolds. Furthermore, the association of PLA and hydroxyapatite (HA) in its manufacture has shown excellent results, accelerating bone regeneration and reducing healing time. Another promising material for making scaffolds are carbon nanotubes (CNT), which have excellent mechanical properties and also accelerate bone growth. Thus, the main objective of this study was to produce scaffolds by additive manufacturing from polylactic acid (PLA) reinforced with hydroxyapatite (HA) and carbon nanotubes (CNT), to be applied in the regeneration of bone tissue and characterized through mechanical and biological. Hydroxyapatite was synthesized by wet means and characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM), presenting phases characteristic of HA, characteristic groups and a morphology with a porous surface with varying particle sizes, important characteristics for a biomaterial. The pure PLA, PLA/HA and PLA/NTC scaffolds were produced by additive manufacturing with an opening between the walls of 1 mm and 2 mm and characterized through mechanical tests and biological tests. Furthermore, PLA/NTC scaffold samples were impregnated with HA on the surface by thermal and chemical treatment to evaluate the influence of ceramics on the composite surface. The micrograph of the scaffolds showed that the addition of CNT made the PLA surface rougher compared to the sample containing HA; The TGA curves suggested that temperature may favor the thermal stability of PLA/NTC scaffolds impregnated with HA on the surface; Ramam showed an interaction between hydroxyapatite on the CNT surface and a possible structural transformation of PLA/CNT; In compression tests, PLA/NTC scaffolds with an opening between the walls of 1 mm showed better compression resistance; In cell viability assays, fibroblasts incubated with pure PLA, PLA/HA and PLA/NTC scaffolds showed high viability after evaluation by the MTT assay for the two forms of preparation (heat treatment impregnation and chemical treatment impregnation and for the two openings between the walls. More than 85% of the cells remained viable after 48h of incubation with all scaffolds tested, with the groups that had NTC in their composition showing the best results, both for heat treatment (more than 95% of cell viability) as well as chemical treatment (acetone). Given the results presented, it is concluded that PLA scaffold reinforced with HA and CNT may be promising as a biomaterial used to aid in the regeneration of bone tissue, contributing to the reduction of time hospitalization of patients suffering from bone fractures.Tese Acesso aberto (Open Access) Propriedades termodinâmicas: querosene, bioquerosene, aditivos e mecanismos de detecção de explosivos(Universidade Federal do Pará, 2018-11-23) MORAES, Edimilson dos Santos; CHAVES NETO, Antonio Maia de Jesus; http://lattes.cnpq.br/3507474637884699In this work we perform the characterization of thermodynamic potentials, obtaining predictions based on Density Functional Theory and statistical thermodynamics, through the canonical ensemble model. The study compared two theoretical methods, B3lyp/6-311 ++ g(d, p) and the semi-empirical method PM3, with the experimental values of the thermodynamic property of CP with the objective of validating the method with better precission. All simulations were performed conformation of the global minimums and optimizations of the molecules in thermal equilibrium and for a temperature range of 0.5 - 1500 K. We will analyze the thermal properties, such as energy, enthalpy, Gibbs free energy, entropy, heat capacity at constant pressure with respect to temperature. In the combustion enthalpy the following methods were used: B3lyp/6-311 ++ g(d, p), B3lyp/6- 31+g(d), CBS-QB3, G3, G4 and the G3 / G4 mean, obtaining results that show a good agreement with the experimental values, and verifying which of the methods best predicts the thermodynamic properties for reactions of combustion of the kerosene and bioquerosene. Also, a theoretical analysis was performed in DFT to calculate the thermodynamic properties of three molecules of additives. We simulated a composition of JP-8 with mixtures of the three additives together and separated in order to observe its efficiency over other existing methods. Then, the thermodynamic properties of the gasoline with additives were predicted under the same conditions already described. These calculated amounts included standard gasoline mixed with the following oxygenated additives: methyl tert-butyl ether, ethyl tert-butyl ether, diisopropyl ether, ethanol and methanol. It is possible to estimate some relevant fuel properties in the injection and combustion stage, showing substantial agreement with the experimental data, presenting relative errors of less than 2%, thus establishing an excellent method to calculate and predict the thermodynamic properties of the combustion reactions for with additives. In the last stage of this work, we present a theory of a simulated sensor device to identify explosive molecules that is of extreme interest for the area of public security in the fight against terrorism. For this, an armchair-type carbon nanotube (CNT) was modeled under the action of an external, longitudinal and uniform electric field, causing the molecules of the explosives: 2,4,6 trinitrotoluenes, triacetin triperoxide, hexogen, hexamethylene triperoxide diamine, octogen and pentaerythritol tetranitrate. Turn around the CNT, behaving as a sensor depending on the temperature and the radius of rotation of the molecules. In this way, we study the physico-chemical properties of the interactions of the molecules with the CNT.
