Phase Behavior of a Cell Fluid Model with Modified Morse Potential

Phase Behavior Cur Of Reservoir Fluid

A New Modification of Morse Potential Energy Function

Interaction of meso — tetrakis (p-sulphonato phenyl) porphyrin (hereafter abbreviated to TSPP)with Na+ has been examined using HF level of theory with 6-31G* basis set. Counterpoise (CP)correction has been used to show the extent of the basis set superposition error (BSSE) on thepotential energy curves. The numbers of Na+ have a significant effect on the calculated potentialenergy curve (includ...

Complex phase behavior of a fluid in slits with semipermeable walls modified with tethered chains.

We study the phase behavior of a two-component fluid in a pore with the walls modified by tethered chains. The walls are completely permeable for one component of the fluid and completely impenetrable for the second component. The fluid is perfectly mixed in a bulk phase. We have found that depending on the details of the model the fluid undergoes capillary condensation inside the pore and wett...

Applying a Modified Two-Fluid Model to Numerical Simulation of Two-Phase Flow in the Membrane Chlor-Alkali Cells

In this study, gas evolution in a vertical electrochemical cell is investigated numerically with a modified two-fluid model. The mathematical model involves solution of separate transport equation for the gas and liquid phases with an allowance to inter-phase transfer of mass and momentum. The governing equations are discreted via the finite volume technique and then are solved by ...

Concrete Fracture Prediction Using Virtual Internal Bond Model with Modified Morse Functional Potential

Concrete fracture behavior is predicted by one of multi-scaling methods, called the virtual internal bond (VIB) model. The VIB model describes the microscopic interactions between the cement pastes and aggregates using the concept of homogenization. The microscopic behavior is connected to macroscopic behavior by the Cauchy-Born rule, which results in the strain energy function. From the macros...