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Updated: May 30, 2026

Studying Surfactant Effects on Hydrate Crystallization at Oil-Water Interfaces Using a Low-Cost Integrated Modular Peltier Device
Published on: March 18, 2020
A molecular dynamics study of the interaction of oleate and dodecylammonium chloride surfactants with complex
Beena Rai1, P Sathish, Jyotsna Tanwar
1Tata Research Development and Design Centre, 54B, Hadapsar Industrial Estate, Pune 411 013, India. beena.rai@tcs.com
Abstract:
Surface characteristics of complex aluminosilicate minerals like spodumene [LiAl(SiO(3))(2)], jadeite [NaAl(SiO(3))(2)], feldspar [KAlSi(3)O(8)], and muscovite [K(2)Al(4)(Al(2)Si(6)O(20))(OH)(4)]) are modeled. Surface energies are computed for the cleavage planes of these minerals. Adsorption mechanisms of anionic chemisorbing type oleate and cationic physisorbing type dodecylammonium chloride molecules on two different crystal planes, that is (110) and (001), of spodumene and jadeite are studied in terms of the surface-surfactant interaction energies computed using molecular dynamics (MD) simulations. The conclusions drawn from purely theoretical computations match remarkably well with our experimental results.
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