Thermodynamic Mechanism and Interfacial Structure of Kaolinite Intercalation and Surface Modification by Alkane Surfactants with Neutral and Ionic Head Groups.

ABSTRACT: Intercalation and surface modification of clays with surfactants are the essential process to tailor the clays' surface chemistry for their extended applications. A full understanding of the interaction mechanism of surfactants with clay surfaces is crucial to engineer clay surfaces for meeting a particular requirement of industrial applications. In this study, the thermodynamic mechanism involved in the intercalation and surface modification of methanol preintercalated kaolinite by three representative alkane surfactants with different head groups, dodecylamine, cetyltrimethylammonium chloride (CTAC), and sodium stearate, were investigated using the adaptive biasing force accelerated molecular dynamics simulations. In addition, the interaction energies of surfactants with an interlayer en

SUBMITTER: Zhang S 

PROVIDER: S-EPMC5896017 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature