(632f) Adsorption States of Amphipatic Solutes at the Surface of Naturally Hydrophobic Minerals: A Molecular Dynamics Simulation Study
AIChE Annual Meeting
2007
2007 Annual Meeting
Computational Molecular Science and Engineering Forum
Industrial Applications of Computational Chemistry and Molecular Simulation II
Thursday, November 8, 2007 - 5:10pm to 5:30pm
An initial molecular dynamics simulation (MDS) study regarding interfacial phenomena at selected naturally hydrophobic surfaces is reported. Simulation results show that due to the hydrophobicicty of graphite and talc basal planes, the cationic surfactant dodecyl trimethyl ammonium bromide (DTAB) preferentially adsorbs at these surfaces through hydrophobic interactions. When a model dextrin molecule is considered, the simulation results suggest that the hydrophobic interaction between the naturally hydrophobic surfaces of graphite, talc basal plane and sulfur and the hydrophobic moieties in the dextrin molecule plays a significant role in dextrin adsorption at these surfaces. The hydroxyl group in the dextrin molecule also contributes to its adsorption at the talc basal plane surface. In contrast, dextrin was not found to adsorb at talc edge surfaces.
Checkout
This paper has an Extended Abstract file available; you must purchase the conference proceedings to access it.
Do you already own this?
Log In for instructions on accessing this content.
Pricing
Individuals
AIChE Pro Members | $150.00 |
AIChE Graduate Student Members | Free |
AIChE Undergraduate Student Members | Free |
AIChE Explorer Members | $225.00 |
Non-Members | $225.00 |