The simultaneous investigation of a large number of events with different types of intermolecular interactions, from nonequilibrium high-force pulling assays to quasi-equilibrium unbinding events in the same environment, can be very important for fully understanding intermolecular bond-rupture mechanisms. Here, we describe a novel dielectrophoretic force spectroscopy technique that utilizes mic...

Most reservoir fluids contain heavy paraffinic compounds that may precipitate as a solid or solid like material called wax if the fluid is cooled down. Wax precipitation is a phenomenon of considerable importance in oil industry. An increase in aggregation results in enhanced oil viscosity. This however causes significant negative effects on production, transportation and processing of crude oi...

This review sketches the development of methods for the computation of intermolecular forces; emphasis is placed on dispersion forces. The last forty years, which saw the birth, growth, and maturation of ab initio methods, are reviewed.

Most reservoir fluids contain heavy paraffinic compounds that may precipitate as a solid or solid like material called wax if the fluid is cooled down. Wax precipitation is a phenomenon of considerable importance in oil industry. An increase in aggregation results in enhanced oil viscosity. This however causes significant negative effects on production, transportation and processing of crude oi...

The basics of quantum mechanics and statistical thermodynamics were used to predict the potential energy and intermolecular forces of asphaltene molecules. The parameters associated with the chemical structure were also estimated for a specific asphaltene molecule to predict the Mie potential function. Based on the structural results, a new form of the Virial EOS with Peneloux correction wa...

Hydrodynamics of multiple rising bubbles as a fundamental two-phase phenomenon is studied numerically by lattice Boltzmann method and using Lee two-phase model. Lee model based on Cahn-Hilliard diffuse interface approach uses potential form of intermolecular forces and isotropic finite difference discretization. This approach is able to avoid parasitic currents and leads to a stable procedure t...

What do we mean when we talk about Supramolecular Chemistry? The easiest way to describe supramolecular chemistry is to consider the concept of “chemistry beyond the molecule”—We can think of supramolecular chemistry as more than the sum of the parts. In other words the way molecules interact and come together generates new and exciting properties that surpass those of the molecule. The very co...