Effect of Divalent Cationic Ions on the Adsorption Behavior of Zwitterionic Surfactant at Silica/Solution Interface

• DOI: 10.1021/jp101943m
• Publication Date: 2010-06-24T10:21:26Z
• Authors: Xiaoying Hu; Ying Li; Huanquan Sun; Xinwang Song; Quanwei Li; Xulong Cao; Zhenquan Li
• Keywords: Cationic polymerization; Divalent

The adsorption behavior of zwitterionic surfactant dodecyl sulfobetaine (DBS) on a silica/solution interface with Ca(2+), Mg(2+) existing in aqueous solution is explored by atomistic molecular simulations. interaction energy contribution van der Waals and electrostatic potentials the surfactants/water/silica system are respectively calculated, from which electrical can be found to play decisive role tendency DBS silica surface or without inorganic ions, despite different mechanisms. distinct decrease has been derived when adsorb covered Ca(2+) Mg(2+). Therefore, it predicted that cationic ions combined negatively charged mineral water medium might trend surface, experimentally proven TOC measurement. Structural information close layer distribution molecules analyzed after complete dynamics simulation using ternary model. reduce amount preventing direct between bringing about orientation reversal break order layer. Furthermore, changes status spreading caused complexation cations also an important reason reduction.