Paleoenvironmental insights from the deposition and diagenesis of Aptian pre-salt magnesium silicates from the Lula Field, Santos Basin, Brazil

ABSTRACT Since the discovery of giant Aptian pre-salt reservoirs in Brazilian margin basins, the study of lacustrine carbonates has drawn great attention from the scientific community. Comparatively, minor attention was given to the characterization and genesis of the Mg-silicates (e.g., stevensite, kerolite) which are commonly associated with these carbonates. A systematic petrological study was performed in the Aptian Barra Velha Formation (BVF) within distinct structural compartments of the giant Lula Field in the Santos Basin, in order to recognize the patterns of primary formation and diagenetic alteration of these Mg-silicates. Mg-silicates occur as peloids, ooids, intraclasts, and fine-grained laminated deposits, either mixed in variable proportions with other particles, such as carbonate bioclasts and volcanic rock fragments, or constituting specific intrabasinal deposits. In the BVF interval, clay peloids and laminated deposits are associated with spherulitic and fascicular calcite aggregates, as substrate and hosts for these precipitates. Ooids are interpreted as formed at the sediment–water interface by the nucleation of concentric envelopes on the surface of particles (heterogeneous nucleation), through repeated rolling under gentle wave and current action. Laminated deposits, interpreted as precipitated directly from the water column (homogeneous nucleation) in highly supersaturated and low-hydrodynamic-energy environments, constitute extensive deposits in the BVF. Peloids were probably formed in intermediate energy conditions. Some ooidal arenites show porosity from the dehydration and contraction, and/or the dissolution of ooids. In some rocks, these pores are filled with fibrous calcite, while the remaining Mg-silicates are replaced by dolomite, calcite, or silica. A similar diagenetic pattern occurs in the laminated deposits, where magnesite and dolomite fill shrinkage pores formed along their characteristic wavy laminae. Owing to their elevated solubility, most of the Mg-silicates were dissolved, or intensely replaced by calcite, dolomite, or silica. The detailed petrologic analysis indicates that the original volumes of Mg-silicates were substantially larger, and that their deposition was widespread in the basin, including on structurally high areas. The types and intensity of diagenetic alteration of the Mg-silicate deposits are distinct for each structural compartment, being more intense towards the highs and closer to the overlying evaporites, which imposed a strong influence on reservoir quality.

Review of Reduced-Order Models for Homogeneous CO2 Nucleation in Supersonic and Hypersonic Expansion Flows

Several classical and non-classical reduced-order nucleation rate models are presented and compared to experimental values for the homogeneous nucleation rate of CO2 in supersonic nozzles. The most accurate models are identified and are used in simulations of a condensing supersonic expansion flow. Experimental results for the condensation onset point of CO2 in a variety of expansion facilities are presented and compared to simulations and to new data acquired at the SBR-50 facility at the University of Notre Dame.

Facile Synthesis of Pd-Ir Nanocubes for Biosensing

Displaying extremely high peroxidase-like activity and uniform cubic structure enclosed by (100) facets, Pd-Ir nanocubes are an attractive nanomaterial for bioanalysis. However, there exists a great challenge to deposit atomic layers of Ir on the surface of Pd nanocubes due to the relatively low energy barrier of homogeneous nucleation of Ir atoms compared to heterogeneous nucleation. Here, a simple and surfactant-free approach is presented to synthesize Pd-Ir nanocubes with atomic Ir shell thickness in an aqueous solution at room temperature. Biomolecules such as antibodies and nucleic acids have free access to the surface of Pd-Ir nanocubes. Applications of Pd-Ir nanocubes in immunoassays and aptamer-based biosensors are realized, exploiting the excellent peroxidase activity and fluorescence quenching ability of Pd-Ir nanocubes. This work makes a significant step forward towards the practical utility of Pd-Ir nanocubes in bioanalysis.

Computational analysis of homogeneous nucleation and droplet growth applied to natural gas separators

A natural gas droplet is generated at certain thermodynamic conditions through three stages: supersaturation, where the gas has more molecules than it should have in equilibrium, forming “embryos” of liquid phase; nucleation, where embryos form groups of different shapes and sizes of nanometer order; and the droplet growth, where the number of molecules increases until equilibrium is reached. In this paper, the homogeneous nucleation and droplet growth of natural gas applied to gravitational separators operating at high pressure conditions (7MPa) are analyzed. The results showed that at a high pressure, the initial drop size reached was 8.024 nanometers and the final diameter of the drop was 4.18 micrometers.

Prediction of Second Melting Temperatures Already Observed in Pure Elements by Molecular Dynamics Simulations

A second melting temperature occurs at a temperature Tn+ higher than Tm in glass-forming melts after heating them from their glassy state. The melting entropy is reduced or increased depending on the thermal history and on the presence of antibonds or bonds up to Tn+. Recent MD simulations show full melting at Tn+ = 1.119Tm for Zr, 1.126Tm for Ag, 1.219Tm for Fe and 1.354Tm for Cu. The non-classical homogeneous nucleation model applied to liquid elements is based on the increase of the Lindemann coefficient with the heating rate. The glass transition at Tg and the nucleation temperatures TnG of glacial phases are successfully predicted below and above Tm. The glass transition temperature Tg increases with the heating rate up to Tn+. Melting and crystallization of glacial phases occur with entropy and enthalpy reductions. A universal law relating Tn+ and TnG around Tm shows that TnG cannot be higher than 1.293Tm for Tn+= 1.47Tm. The enthalpies and entropies of glacial phases have singular values, corresponding to the increase of percolation thresholds with Tg and TnG above the Scher and Zallen invariant at various heating and cooling rates. The G-phases are metastable up to Tn+ because the antibonds are broken by homogeneous nucleation of bonds.