Modelling pH-Dependent and Microstructure-Dependent Streaming Potential Coefficient and Zeta Potential of Porous Sandstones

In this paper, we have significantly modified an existing model for calculating the zeta potential and streaming potential coefficient of porous media and tested it with a large, recently published, high-quality experimental dataset. The newly modified model does not require the imposition of a zeta potential offset but derives its high salinity zeta potential behaviour from Stern plane saturation considerations. The newly modified model has been implemented as a function of temperature, salinity, pH, and rock microstructure both for facies-specific aggregations of the new data and for individual samples. Since the experimental data include measurements on samples of both detrital and authigenic overgrowth sandstones, it was possible to model and test the effect of widely varying microstructural properties while keeping lithology constant. The results show that the theoretical model represents the experimental data very well when applied to model data for a particular lithofacies over the whole salinity, from 10^?5 to 6.3 mol/dm³, and extremely well when modelling individual samples and taking individual sample microstructure into account. The new model reproduces and explains the extreme sensitivity of zeta and streaming potential coefficient to pore fluid pH. The low salinity control of streaming potential coefficient by rock microstructure is described well by the modified model. The model also behaves at high salinities, showing that the constant zeta potential observed at high salinities arises from the development of a maximum charge density in the diffuse layer as it is compressed to the thickness of one hydrated metal ion.     

Nucleophilic Activation of Sulfur Hexafluoride by N-Heterocyclic Carbenes and N-Heterocyclic Olefins: A Computational Study

Sulfur hexafluoride (SF₆) is considered as a potent greenhouse gas, whose effective degradation is challenging. Here we report a computational study on the nucleophilic activation of sulfur hexafluoride by N-heterocyclic carbenes and N-heterocyclic olefins. The result shows that the activation of SF₆ is both thermodynamically and kinetically favorable at mild condition using NHOs with fluoro-substituted azolium and sulfur pentafluoride anion being formed. The Gibbs free energy barrier during the activation of SF₆ has a linear relationship with the energy of HOMO of substrates, which could be a guideline for applying those compounds that feature higher energy in HOMO to activate SF₆ in high efficiency.