Journal
JOURNAL OF COLLOID AND INTERFACE SCIENCE
Volume 362, Issue 2, Pages 510-516Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcis.2011.06.069
Keywords
Molecular dynamics; Spodumene; Jadeite; Feldspar; Muscovite; Oleate; Dodecylammonium chloride; Aluminosilicates
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Funding
- Tata Research Development and Design Centre
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Surface characteristics of complex aluminosilicate minerals like spodumene [LiAl(SiO3)(2)], jadeite [NaAl(SiO3)(2)], feldspar [KAISi(3)O(8)], and muscovite [K2Al4(Al2Si6O20)(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 (1 1 0) and (0 0 1), 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. (C) 2011 Elsevier Inc. All rights reserved.
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