Application of Molecular Simulation on Wettability and its Alteration

Ming Hui Zhou; Wen Jie Sun

doi:10.4028/www.scientific.net/AMR.884-885.25

Paper Titles

A Kind of Novel Chemical Plugging Removal Technology Study for Polymer Flooding Wells
p.7

A Study of Oxalic Acid Adsorption on the Surface of Natural Mica
p.12

Adsorption Breakthrough Curves for Alkaline-Earth Metal Ions on the Resins in a Fixed-Bed Column
p.16

Analysis of Certain Phenomena in Tussah Silk Dye-Free Coloration
p.21

Application of Molecular Simulation on Wettability and its Alteration
p.25

Catalytic Wet Peroxide Oxidation of Dye Wastewater Using Fe₂O₃-CeO₂/γ-Al₂O₃ as Catalyst
p.29

Chiral Recognition of L-Carnitine Using Surface Molecularly Imprinted Microspheres via RAFT Polymerization
p.33

Combustion Kinetic Analysis of Lignite in Different Oxygen Concentration
p.37

Comparison Study on Hospital Wastewater Disinfection Technology
p.41

HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 884-885Application of Molecular Simulation on Wettability...

Application of Molecular Simulation on Wettability and its Alteration

Abstract:

As the mechanical mechanism in interfacial phenomenon, interfacial forces are known as important but difficult to measure experimentally. In recent years, molecular simulation has been rapidly developed to give novel way in inter-molecular forces. In this study, molecular simulation is introduced into wettability and several formulas are presented to model forces and their microscopic effect among water, vapor and quartz phases. A novel dynamic method is proposed to determine the reasonable value of the cutoff distance to calculate the contact angles in vapor-water-quartz systems with and without fluorocarbon surfactants treated using molecular simulation. With other improvement in molecular simulation, the results of the contact angles are closely consistent with the measured data.