Hydration Behavior of Saline Solutions at Liquid-Liquid Interfaces
Paper ID : 1413-ICNS
Authors:
Nahid Pour Khiabani *1, Alireza Bahramian1, Madjid Soltani2, Peyman Pourafshary3, Pu Chen4, William Andrew Goddard5, Mohammad Reza Ejtehadi6
1School of Chemical Engineering, College of Engineering, University of Tehran, Tehran, 11155-4563, Iran
2Department of Mechanical Engineering, K. N. Toosi University of Technology, Tehran, 016765 3381, Iran
3School of Mining and Geosciences, Nazarbayev University, 010000, Nur-Sultan, Republic of Kazakhstan
4Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, ON., N2L 3G1, Canada
5Materials and Process Simulation Center, California Institute of Technology, Pasadena, CA 91125, U.S.A.
6Department of Physics, Sharif University of Technology, Tehran, 11155-9161, Iran
Abstract:
Saline aqueous solutions behavior in Newton Black films (NBFs) is still one of hot topics in surface science. In this work, we report our molecular dynamics (MD) study to investigate the effect of confinement on hydration properties of calcium chloride (CaCl2) in aqueous thin films, where the films they are confined by two liquid-liquid interfaces. We considered the radial distribution functions (RDFs) of water molecules surrounding Ca2+ and Cl- ions to explore ions hydration properties. Herein, we analyse different types of systems: NBFs and free solutions, at different salt concentrations. In these systems, we scrutinize the confinement and salt concentration effects in terms of ion’s coordination numbers and the size of their hydration shells. The results indicate that both ions are more structure-maker in NBFs compared to free solutions. In addition to that, anions are more structure-breaker in the saltier solutions, but cations. Unlike chloride ions, calcium ions are hydrated more difficultly in saltier solutions.
Keywords:
Calcium Chloride; Thin Films; Ions Hydration; Confined Aqueous Solutions; Structure-maker (breaker)
Status : Abstract Accepted (Poster Presentation)