Molecular Dynamics Simulation of Aggregates in the Dodecane/span80 System and Their Behaviour in an Electric Field. (23rd November 2015)

• Record Type: Journal Article
• Authors: Mannoor, Madhusoodanan; Kang, Sangmo; Suh, Yong Kweon
• Other Names: Moshchalkov Victor V. Academic Editor.
• Is Part Of: Advances in condensed matter physics. Volume 2015(2015)
• Publication Date: 2015-11-23
• Subjects: Condensed matter -- Periodicals; Condensed matter; Periodicals; 530.41
• DOI: 10.1155/2015/739458
• Languages: English
• ISSNs: 1687-8124

Abstract

Abstract : Molecular dynamics simulation of self-assembly of surfactant span80 molecules to form reverse micelles in nonpolar liquid dodecane is carried out. Simulations are performed using a united atom model for dodecane and a hybrid model for span80 molecules. Various physical characteristics of reverse micelle are measured, and the same are compared with available experimental results. Presence of charge carriers in the form of solvated ions in the core of reverse micelles is confirmed by the simulation. Movement of reverse micelles under the effect of uniform external electric field is also discussed.