A modeling approach for quantitative assessment of interfacial interaction between two rough particles in colloidal systems.

The simulation of rough particle surface is important to understand and control the interface behavior of particles in colloidal systems. Literature analysis suggested a lack of information for an accurate model simulating the interfacial interaction between two rough particles. It is hypothesized that the total interfacial energy developed between two rough particles would depend on the surface morphologies of particles, and it could be predicted if a mathematical model to represent the interaction of two rough particles were created accurately. In this study, mathematical models were developed to determine the interfacial energy created between two particles according to the XDLVO theory by considering the rippled particle theory and surface element integral (SEI) method. Three different scenarios of particle interactions were assumed in the simulation. The present study provides deep insights into particle interactions via considering aspect ratio, size, and surface roughness of two particles in colloidal systems. The assessment of the interfacial interaction revealed that an increase in the aspect ratio, surface roughness, and relative surface roughness of particles would weaken the total interaction energy generated between particles and promote particle aggregation. Increased interaction energy was predicted for the interaction of particles by increasing the particle size. The asperity ratio was more effective than the asperity number in controlling the interfacial energy between two particles. The results of this study could be used for foreseeing the interaction of rough particles, which has a significant application in particle coagulation or dispersion in colloidal systems. [ABSTRACT FROM AUTHOR]