In this work, a method to estimate solid elemental sulfur solubility in pure and gas mixtures using Monte Carlo (MC) molecular simulation is proposed. This method is based on Isobaric-Isothermal (NPT) ensemble and the Widom insertion technique for the gas phase and a continuum model for the solid phase. This method avoids the difficulty of having to deal with high rejection rates that are usual...

Two fundamentally different types of silicic volcanic rocks formed during the Cenozoic of the western Cordillera of the United States. Large volumes of dacite and rhyolite, mostly ignimbrites, erupted in the Oligocene in what is now the Great Basin and contrast with rhyolites erupted along the Snake River Plain during the Late Cenozoic. The Great Basin dacites and rhyolites are generally calc-a...

The effect of chemical environment on the hydrogen-related defect chemistry in wadsleyite was investigated using Fourier-transform infrared (FTIR) spectroscopy. Samples were annealed at P = 14–16 GPa and T = 1230–1973 K using Kawai-type multi-anvil apparatus. The effect of oxygen fugacity (fO2) was investigated using three metal-oxide buffers (Mo-MoO2, Ni-NiO, and Re-ReO2). The effect of water ...

This work investigates the modeling of the surface tension and the interface of liquid mixtures. Nine binary liquid mixtures of (DMSO+alcohols), (2-Propanol+2,2,4-trimethylpentane), (Tetrahydrofuran+2-Propanol), (Tetrahydrofuran+2,2,4-trimethylpentane), and (ethano+glycerol) are considered. Additionally, one ternary liquid mixture of (Tetrahydrofuran+2-Propanol+2,2,4-trimethylpenta...

Magnetite is a representative ore mineral found in various deposits. The trace element composition of deposits controlled by several physiochemical factors such as temperature, pressure, and oxygen or sulfur fugacity. chemical behavior Germanium (Ge) distinct different environments. Consequently, the patterns Ge magnetite can be used to infer provenance conditions. This study focuses on from Wu...

Abstract Newly analysed titanomagnetite–ilmenite (Tim–Ilm) intergrowths from Martian nakhlite meteorite Northwest Africa (NWA) 5790 yielded crystallisation temperature up to 1032 °C and oxygen fugacity ( f O 2 ) ?QFM + 1.6, notably higher than previous estimates for magmas (temperature < 950 °C, = ? 0.5 1). To interpret how the magma was reduced we used D-Compress model sulphur degassing pro...