标题:Effect of Divalent Cationic Ions on the Adsorption Behavior of Zwitterionic Surfactant at Silica/Solution Interface
作者:Xiaoying Hu;Ying Li;Huanquan Sun
作者机构:[Hu, X] Key Laboratory for Colloid and Interface Chemistry, Ministry of Education, Shandong University, South Road of ShanDa, Jinan, Shandong 250100, 更多
通讯作者:Li, Y
通讯作者地址:[Li, Y]Shandong Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Colloid & Interface Chem, 27 Shanda Nanlu, Jinan 250100, Shandong, Peoples R China.
来源:The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical
出版年:2010
卷:114
期:27
页码:8910-8916
DOI:10.1021/jp101943m
摘要: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. The interaction energy contribution of van der Waals and electrostatic potentials in the surfactants/water/silica system are respectively calculated, from which the electrical interaction can be found to play a decisive role in the adsorption tendency of DBS on the silica surface with or without inorganic ions, despite different mechanisms. The distinct decrease of energy has been found to be derived from electrical interaction when DBS adsorb on the silica surface covered by Ca~(2+) or Mg~(2+). Therefore, it can be predicted that the cationic ions combined on the negatively charged silica surface in a mineral water medium might decrease the adsorption trend of DBS on the silica surface, which has been experimentally proven by TOC measurement. Structural information of the close interface layer and the distribution of water molecules are analyzed after the complete molecular dynamics simulation using a ternary model. Ca~(2+) and Mg~(2+) combined on the silica surface can reduce the adsorption amount of DBS by preventing the direct interaction between DBS and surface, and bringing about the orientation reversal of DBS molecules to break the order of adsorption interface layer. Furthermore, changes in the status of the water spreading on the silica surface caused by the complexation of cations are also an important reason in the adsorption reduction.
收录类别:EI;SCOPUS;SCIE
WOS核心被引频次:36
Scopus被引频次:37
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-77954516071&doi=10.1021%2fjp101943m&partnerID=40&md5=81138ab05d7ab85ed626d1c2b87d1dfc
TOP