Mirza Galib

TL;DR: Starting from molecular simulations, this work correctly predicts bulk thermodynamic quantities and experimental data, including equilibrium constants, titration curves, and detailed x-ray absorption spectra taken from the supersaturated CaCO3 solutions, in complete agreement with classical views of cluster populations in which ions and ion pairs dominate.

TL;DR: These measurements show a much shorter Na-O distance than generally reported in the experimental literature (Na-Oavg ∼ 2.44 Å) although the current measurements are in agreement with recent neutron diffraction measurements.

TL;DR: In this article, the authors used both simulation and experimental means to gain insights into the microscopic level of the influence of hydrophobic solid surfaces on gas hydrate formation and showed the presence of an interfacial gas enrichment (IGE) at hydrophilic surface and a gas depletion layer at hydophilic surface.

TL;DR: Gas hydrates are crystalline solids composed of water and gases as discussed by the authors, and they occur abundantly in nature and are potentially significant to industry. Solid surfaces and confined spaces strongly affect the...

TL;DR: In this paper, the authors use molecular simulations, including reactive potentials and importance sampling, to study the uptake of N2O5 into an aqueous aerosol, and propose an alternative interfacial reactive uptake model consistent with existing experimental observations.