title: A molecular dynamics study of the interaction of oleate and dodecylammonium chloride surfactants with complex aluminosilicate minerals.
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.
authors.affiliation: Tata Research Development and Design Centre, 54B, Hadapsar Industrial Estate, Pune 411 013, India. beena.rai@tcs.com
authors.forename: Beena
authors.initials: B
authors.lastname: Rai
authors.forename: P
authors.initials: P
authors.lastname: Sathish
authors.forename: Jyotsna
authors.initials: J
authors.lastname: Tanwar
authors.lastname: Pradip
authors.forename: K S
authors.initials: KS
authors.lastname: Moon
authors.forename: D W
authors.initials: DW
authors.lastname: Fuerstenau