Electroanalytical chemists and others are concerned not only with the application of new
and classical techniques to analytical problems, but also with the fundamental theoretical …

BACKGROUND The concept of immiscibility of certain liquids, such as oil and water, must
have been known to the humankind for millennia, and it must have captivated early …

DL_POLY is a general-purpose molecular dynamics simulation package, which was
developed by Daresbury Laboratory in the mid-1990s for the molecular simulation …

Provides a comprehensive treatment of surface chemistry and its applications to chemical
engineering, biology, and medicine. Focuses on the chmical and physical structure of oil …

A new method is presented to identify the truly interfacial molecules at fluid/fluid interfaces
seen at molecular resolution, a situation that regularly occurs in computer simulations. In the …

In our paper, we study the interface wettability, diffusivity, and molecular orientation between
crude oil and different fluids for applications in improved oil recovery (IOR) processes …

We report the results on the structure of the binary dense CO2− water interface at 20 MPa
and 318 and 338 K and 28 MPa and 318 K, as investigated by molecular dynamics …

In this paper we present results of a detailed and systematic molecular dynamics study of the
water/nitrobenzene interface. Using a simple procedure to eliminate fluctuations of the …

The orientational statistics of water molecules at the vicinity of the water/CCl4 liquid–liquid
interface is analyzed at different levels of statistics on the basis of a Monte Carlo computer …

In the carbon dioxide (CO2) enhanced oil recovery (EOR) process and subsequent
geological CO2 sequestration, a ternary system consisting of CO2, crude oil, and brine …