Abstract
Rectorite is a special kind of clay mineral, consisting of illite layer and smectite layer in a regular order. In this study, we employ classical molecular dynamics simulations to study the microscopic interlayer properties of HDTMA+ (hexadecyl trimethyl ammonium)-intercalated rectorites with and without water at different HDTMA+ loading levels. The simulation results show that as the loading level increases, monolayer, bilayer, transition, and trilayer configurations of HDTMA+ occur in succession. The different layer charge characteristics between illite sheet and smectite sheet lead to special interlayer distributions of HDTMA+. In the systems without water, the headgroups of HDTMA+ and Na+ are controlled by six-membered rings of clay surface. With water addition, water molecules show the highest mobility among the interlayer species. However, HDTMA headgroups are still controlled by clay surfaces mainly with low mobility. At the same time, most of Na+ cations escape from surfaces because of the attract...
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
