Navegando por Assunto "Thermodynamic modeling"

Agora exibindo 1 - 2 de 2

Acesso aberto (Open Access)
Determinação de propriedades termofísicas e estudo do equilíbrio líquido-líquido de sistemas envolvendo líquidos iônicos próticos
(Universidade Federal do Pará, 2017-03-24) GOMES, Rossimar dos Santos; SILVA, Silvana Mattedi e; http://lattes.cnpq.br/8741124364246075; SANTOS, Geormenny Rocha dos; http://lattes.cnpq.br/0844662601945669
This work consisted of the synthesis of protic ionic liquids (Ethyl 2-hydroxyethylammonium propionate [E2HEAP][PR], Diethylammonium propionate, [DEA][PR] and Butylammonium propionate, [BA][PR] and determination of density and viscosity of protic ionic liquids [DEA] [PR] and [BA] [PR] pure and the binary systems formed by these ionic liquids + water at different temperatures and atmospheric pressure. The density data were determined using a digital densimeter and viscosity by the viscometer, both of Anton Paar, the experimental results were used to obtain excess molar volume (𝑉𝑚𝐸), apparent molar volume (𝑉∅,1), viscosity deviation (Δη) and excess Gibbs free energy (ΔGE), being the results correlated with the Redlich-Kister or Redlich-Meyer equation. The results were compared and discussed based on the molecular interactions between the studied componentes. It was also made the study of liquid-liquid equilibrium data (LLE) for systems, involving 1-butanol + water + protic ionic liquids: [E2HEA][PR] or [DEA][PR] or [BA][PR] K and atmospheric pressure, being the systems quantified by the gravimetric method. The quality of the equilibrium data was verified by the semi-empirical methods of Othmer-Tobias and Hand. From the obtained equilibrium data, the values of the distribution coefficient found indicated the hydrophilic behavior of the LIs studied. Data liquid–liquid equilibrium was correlated by the NRTL and UNIQUAC thermodynamic models, which was observed that the NRTL model correlated in a more satisfactory way the results presenting global deviation of 1,56% for NRTL and 1,78% for UNIQUAC.
Acesso aberto (Open Access)
Petrogênese da Suíte Igarapé Gelado: implicações para o magmatismo neoarqueano da Província Carajás, Cráton Amazônico
(Universidade Federal do Pará, 2025-04-30) MESQUITA, Caio José Soares; DALL’ AGNOL, Roberto; http://lattes.cnpq.br/2158196443144675
The Igarapé Gelado suite (IGS) is located near the northern border of the Carajás Province, almost at its boundary with the Bacajá Domain, along the Cinzento lineament, and is intrusive in metavolcanic mafic rocks and banded iron formations. The central-eastern portion of the IGS comprises four rock varieties: tonalite to granodiorite with varying contents of biotite and amphibole, (1) with associated clinopyroxene and/or orthopyroxene (PBHTnGd) or (2) devoid of pyroxenes (BHTnGd); and monzogranites that exhibit variable biotite and amphibole content and can be (3) moderately (BHMzG) or (4) strongly (RBHMzG) reduced. The PBHTnGd shows ferrosilite and/or augite with subordinate hedenbergite. The amphiboles are K-hastingsite and, subordinately, Fe-Tschermakite in monzogranites. Biotites are ferroan, and in reduced granites show #Fe > 0.90. These micas are similar to those of alkaline to subalkaline rocks and compositionally akin of primary magmatic biotites. Plagioclase is oligoclase. The integration of thermineral chemistry;mobarometry results and thermodynamic modeling and their comparison with the paragenesis present in natural rocks improved the estimation of crystallization parameters (T, P, ƒO2, H2O), and allowed a better interpretation of magmatic evolution. The IGS granites crystallized at pressures of 550 ± 100 MPa, higher than those attributed to other Neoarchean granites in Carajás provinve. The estimated liquidus temperature for the IGS pyroxene variety is ~1000±50°C. BHTnGd and BHMzG formed within a similar temperature range to PBHTnGd, while RBHMzG had lower liquidus temperatures (≤900°C). Solidus temperatures of around ~660 °C were estimated for the four IGS varieties. The BHMzG magma evolved under conditions of low ƒO2, slightly above or below the FMQ buffer (FMQ±0.5), like those of the Planalto suite and the reduced granites of the Vila Jussara and Vila União suites of Carajás province. In the magmas of the PBHTnGd and BHTnGd varieties the oxygen fugacity attained FMQ+0.5. The RBHMzG crystallized under strongly reduced conditions equivalent to FMQ-0.5 to FMQ-1. The magmas of the monzogranitic varieties evolved with a H2O content of ≥4 wt%, attaining 7 wt% in the case of the reduced monzogranites. This is comparable to, or slightly exceeding, the levels typically attributed to the Neoarchean granites of Carajás province (≥ 4% wt%). In contrast, the variety with pyroxene has a water content (~4 wt%) like that of Café enderbite and Rio Seco charnockite from Carajás province, and Matok Pluton from Limpopo belt. Based on the chemical composition, the rocks from IGS are ferroan, reduced to oxidized A-type-like granites, akin to other Neoarchean granite suites from the Carajás province. The IGS are younger than the 2.76-2.73 Ga Neoarchean granites from the Carajás province. A crystallization concordia age of ~2.68 Ga was obtained by U-Pb SHRIMP in zircon for the RBHMzG variety, and similar upper intercept ages were furnished by the other IGS varieties, except for ages of ~2.5 Ga that resemble the ages of the IOCG Salobo deposits associated with reactivation of the Cinzento Lineament. Tmineral chemistry;he deformation of the IGS rocks was influenced by shear zones linked to that lineament, forming elongated bodies with varied foliation. These zones facilitated the migration and deformation of magmas from the final crystallization stages until their complete cooling, characterizing a syntectonic process. This syntectonicity is associated with the inversion of the Carajás Basin, and the younger crystallization age of these rocks indicates that the inversion occurred up to 2.68 Ga, extending the previously estimated interval (2.76– 2.73 Ga). The IGS displays negative to slightly positive values of εNd(t)(-2.86 to 0.18) and εHf(t)(-3.3 to 0.1), and Paleoarchean to Mesoarchean TDM ages [Nd-TDM(2.98-2.84) and Hf-TDM C (3.27-3.12)]. The positive values of εNd(t) and εHf(t) for the RBHMzG variety, suggest possible juvenile contribution or contamination in the source of its magma. The IGS rocks come from the melting of 19% (PBHTnGd) or 14% (BHTnGd) of contaminated mafic granulite, - and from melting of 9% (BHMzG) and 7% (RBHMzG) of a tholeiitic mafic granulite. The area of occurrence of the IGS is marked by hydrothermalism and mineralizations that locally modified the composition of rocks and minerals, allowing the leaching of REE and Y that changed the composition of some samples of BHMzG approaching them of (false) A1- subtype granites. In addition, these processes were responsible for zircon alteration, which resulted in grains showing enrichment of U, Th, and LREE, and massive textures, that furnished upper intercept U-Pb ages, contrarily to the zircon crystals of the RBHMzG variety that preserved primary characteristics and presented Concordia ages.