Physical Sciences and Mathematics Commons^™

Computational Study On The Microscopic Adsorption Characteristics Of Linear Alkylbenzene Sulfonates With Different Chain Lengths On Anthracite Surface, Xuanlai Chen, Guochao Yan, Guang Xu, Xianglin Yang, Jinfa Dong, Zidong Liang, Shuai Wei

Mining Engineering Faculty Research & Creative Works

In order to explore the influence of different lengths of hydrophobic carbon chains on the diffusion characteristics of surfactants on the surface of anthracite, six linear alkyl benzene sulfonates with different hydrophobic carbon chain lengths were selected (mC, m = 8, 10, 12, 14, 16, 18; m represents the numbers of carbon atoms in the hydrophobic carbon chain), and molecular dynamics (MD) simulations were adopted. Models of surfactant-anthracite, surfactant-graphite layer, and water-surfactant-anthracite were constructed. After analyzing a series of properties such as adsorption energy, diffusion coefficient, radial distribution function (RDF), and hydrophobic tail order parameters, it was found that 12C …