Sharif Digital Repository

We carried out molecular dynamics simulations (MD) to investigate the adsorption of calcium chloride (CaCl2) at n-hexane-water interfaces. We also measured the interfacial tensions (IFT) of the selected systems making use of the pendant-drop method. The histograms of hexane, water, and the ions indicate an electrical double layer (EDL) near the interface. The trend of the EDL indicates that chloride anions intend to adsorb to the interface more intrinsically than calcium cations. The measured interfacial width of the n-hexane-water interfaces decreases with the salt concentration. The average densities of the interfacial and bulk aqueous solutions demonstrate density heterogeneity in the... 

A reliable model was used to describe the interfacial tension, composition, and density of the liquid-liquid interfaces of water-hydrocarbons. The parachor model was combined with the equality of the chemical potential of components at the interface and the bulk liquid. The fugacity coefficient was used for computing chemical potentials. To compute the fugacity coefficients of the components, various types of equations of state (The Valderrama Patel-Teja, cubic plus association, and the simplified Perturbed-Chain Statistical Association Fluid Theory) were utilized. These models were applied to the temperature and the pressure range of (285.65–423) K and (1–3000) bar, respectively. The... 

Capillary pressure experiments were performed at the water/hexane interface including adsorption and mass exchange of hexanol under different conditions. The results from growing drop experiments show that instabilities due to Marangoni convection not only depend on the same parameters as have been reported for quasi-static interfaces, such as direction of mass transfer, distribution coefficient and ratio of diffusion coefficients, but also on the experimental conditions such as dispersed phase flow rate, capillary tip size, size of growing drop and its lifetime. Based on a new flow expansion model for mass transfer, a new approach is presented for data analysis, which includes the various...