Analysis of the interaction of surfactants oleic acid and oleylamine with iron oxide nanoparticles through molecular mechanics modeling

Langmuir : the ACS Journal of Surfaces and Colloids
Richard Anthony HarrisHendriëtte van der Walt

Abstract

The interface interactions between surfactants oleic acid and oleylamine and magnetic nanoparticles are studied via molecular mechanics and dynamics. Mixtures of these two surfactants are widely advocated in the chemical synthesis of nanoparticles. However, the exact dynamic mechanism remains unclear. Here we report, for the first time, a comprehensive qualitative model showing the importance of acid-base complex formation between oleic acid and oleylamine as well as the presence of free protons in the engineering of nanoparticles of specific shapes and sizes. We show why critical parameters such as surfactant concentration may modify iron oxide nanoparticle shape and size and how this can be understood in the light of acid-base complex pair formation. We report on the influence these parameters have on both the in situ nanoparticle surface charge and zeta potential. Transmission electron microscopy (TEM), FTIR, and pH studies are used to confirm the validity of the calculated binding energies and number of acid-base pairs.

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Citations

Mar 17, 2017·AAPS PharmSciTech·Minh Nguyet PhamThao Truong-Dinh Tran
Apr 28, 2018·Physical Chemistry Chemical Physics : PCCP·Jeotikanta MohapatraJ Ping Liu
Nov 26, 2019·Physical Review Letters·Hongsheng Liu, Cristiana Di Valentin
Jul 28, 2018·Journal of Materials Chemistry. B, Materials for Biology and Medicine·Khalilalrahman DehvariJia-Yaw Chang
Mar 10, 2019·The Journal of Chemical Physics·Hongsheng LiuCristiana Di Valentin
Jan 21, 2021·Physical Chemistry Chemical Physics : PCCP·F BataliotoA M Figueiredo Neto
Feb 5, 2019·ACS Applied Materials & Interfaces·Jong Hyun ParkMyoung Hoon Song
May 5, 2018·Langmuir : the ACS Journal of Surfaces and Colloids·Hamed Sharifi DehsariKamal Asadi
Nov 11, 2020·Langmuir : the ACS Journal of Surfaces and Colloids·Massih SarifWolfgang Tremel
Apr 10, 2019·Journal of the American Chemical Society·Hogeun ChangTaeghwan Hyeon

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