molecular dynamics simulation of aggregates in the dodecane/span80 system and their behaviour in an electric field

molecular dynamics simulation of aggregates in the dodecane/span80 system and their behaviour in an electric field

;Madhusoodanan Mannoor;Sangmo Kang;Yong Kweon Suh
majallah-i ̒ulum-i bāghbānī 2015 Vol. 2015 pp. -
127
mannoor2015advancesmolecular

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.

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ID: 202935
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202935
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10.1155/2015/739458
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Scimatic Chain (ID: 481)
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