Adsorption Mechanism of Linear Alkane Liquid in Contact with Face Centred Cubic Lattice
DOI:
https://doi.org/10.37934/cfdl.17.8.112Keywords:
Liquid adsorption, molecular dynamics simulations, solid-liquid interfacesAbstract
Adsorption mechanisms is related to wear rates and scar. The main contributor of these problems is adsorption of liquid on solid surfaces. However, these problems have yet to be explained in the aspect of liquid orientation. Thus, this study investigates the adsorption mechanisms of butane and pentane in contact with face- centred cubic (FCC) lattice of (110), (100) and (111) surfaces, using molecular dynamics simulations. A constant temperature system will be applied to the system and the adsorption mechanism is explained using structural quantities. The results show similar trends where a large adsorption of liquid appears on the solid surfaces and the liquid orientation is in parallel with the solid surfaces. However, the differences appear in the peak height of the adsorption of liquid for the systems. It is found that, (111) exhibits the highest adsorption of liquid near the solid liquid interfaces. Whereas, in terms of elongation of liquid alkanes (110) surface shows large elongation value in the x-directions. From these findings, it suggests that the alkane liquid is adsorbed on the solid surfaces that decreases with the increase in liquid molecule length. Furthermore, the surface structure of the solid influences the orientation of liquid on the solid surface.
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