Monolayer adsorption of dodecylamine Surfactants at the mica/water interface

Xu, Yi–Jun; Liu, Yuelong; Gao, Shang; Jiang, Zhiyong; Su, Dan; Liu, Gousheng

doi:10.1016/j.ces.2014.04.005

Cited by 67 publications

(34 citation statements)

References 58 publications

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“…More information about the first second layers can be found in our previous paper (Xu et al, 2014). As the distance approaches ca.…”

Section: Accepted Manuscriptmentioning

confidence: 95%

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Molecular dynamics simulation of primary ammonium ions with different alkyl chains on the muscovite (001) surface

Liu

2015

International Journal of Mineral Processing

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“…More information about the first second layers can be found in our previous paper (Xu et al, 2014). As the distance approaches ca.…”

Section: Accepted Manuscriptmentioning

confidence: 95%

“…Surface K + ions have been removed according to the same method from our previous study (Xu et al, 2014). The treatment can be found in the self-assembly study of alkylammonium chains on montmorillonite (Heinz et al, 2007).…”

Section: Modelsmentioning

confidence: 99%

Molecular dynamics simulation of primary ammonium ions with different alkyl chains on the muscovite (001) surface

Liu

2015

International Journal of Mineral Processing

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“…MM and molecular dynamics (MD) simulations are useful, however, they can be only implemented for a discrete range of minerals due to C [12] is one of the most common in MD simulations for silica [13,14] and alumina [15,16]. In addition, the phyllosilicate force field has been found to be very useful and accurate for investigating the mica system [8,17]. For research on other non-specific minerals, QM simulations tend to be used [10,18].…”

Section: Please Scroll Down For Articlementioning

confidence: 99%

“…However, it is worth pointing out that water on the mineral surface is the origin of hydrophobicity [19]. Because of its ability to simulate complex systems consisting of vast numbers of particles, the MD method is commonly employed to investigate the influence of interfacial water structure on minerals, such as silica, alumina [20] and muscovite [21], as well as the influence of surfactant adsorption [17,22].…”

Section: Please Scroll Down For Articlementioning

confidence: 99%

Investigation of dodecylammonium adsorption on mica, albite and quartz surfaces by QM/MM simulation

Liu

Sun

2015

Molecular Physics

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The absorption mechanisms of collector and mineral surface structures play important roles in studies of lepidolite flotation. In this work, quantum mechanics (QM) and hybrid quantum mechanics/molecular mechanics (MM) methods were implemented to investigate the flotation mechanisms of lepidolite from muscovite, quartz and albite. The crystal structures, electron density distributions, bonds and the densities of states of lepidolite were calculated and compared with those of muscovite. The adsorption structures and energies of monomer dodecylammonium (DDA) on the three different minerals were also calculated. The headgroup of the DDA cation was found to adsorb on the surface of minerals, with its hydrophobic tail stretching into the vacuum slab, approximately perpendicular to the surface. Simulation results indicate that the purity of fine lepidolite is limited by the existence of muscovite, due to their similarities in surficial structure and properties. Other gangues were found to be removed efficiently with the use of acidic conditions. The results are in good agreement with other experiments. Compared with simple MM simulations, the use of the QM/MM methods to investigate the adsorption on minerals without specific forcefield parameters was concluded to be a more accurate method to attain monomer surfactant-mineral adsorption energies. IntroductionLong-chain alkylamine is widely used in the flotation of nonsulphide minerals such as mica [1], quartz [2,3] and feldspar [4,5]. The pH and cation concentration ranges are key factors in selectivity and flotation recovery [1,3], as are the structure of the amine adsorption layer and the contract angle due to the fact that the minerals' surfaces become hydrophobic/hydrophilic in different aqueous solutions. The length of the alkyl chain has also been proved to significantly affect the collector adsorption properties such as force and aggregation morphology [6][7][8].The use of lithium recourses is potential solutions to further overcome current energy issues. Lepidolite, a micalike mineral, is one of the most common methods used to extract lithium in China. Industrial flotation is used to separate lepidolite from quartz, albite and muscovite. The fine lepidolite from industrial flotation contains between 3.5 w.t.% and 4.0 w.t.% Li 2 O. However, the maximum attainable content could reach 7.0 w.t.%, according to chemical formulae. Efforts to improve the purity of lepidolite have been made, although purities above 5.0 w.t.% have not been achieved using industrial or laboratory processes.X-ray diffraction (XRD) patterns show that the fine material obtained from industrial flotation predominantly con-

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“…As a useful tool to simulate the abstract models of many natural systems, molecular dynamics simulation is widely used for studying the molecular structure and microscopic observation of interaction phenomena [1]. Wang et al [2] studied the adsorption mechanism of sodium oleate (NaOL), dodecylamine hydrochloride (DDAH)and the mixture of them on the muscovite surface in the aqueous solution by means of molecular dynamics simulation.…”

Section: Introductionmentioning

confidence: 99%

The Microscopic Structure and Adsorption Performance of Amide Ions on the Mica (001) Surface

Su¹,

Liu²,

Liu

2015

Proceedings of the 2015 International Conference on Advanced Engineering Materials and Technology

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Abstract. Molecular dynamics simulation has been empolyed to investigate microscopic structure and the adsorption performance of amide ions on the mica (001) surface in the vacuum. The results drawn from the computed interaction energies show that amides are more effective collectors for mica compared with quaternary amines. In addition to strong electrostatic attractions, the head group H atoms of the adsorbed amide ions can form hydrogen bonds to the bridging oxygen atoms on the mica surface.

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Monolayer adsorption of dodecylamine Surfactants at the mica/water interface

Cited by 67 publications

References 58 publications

Molecular dynamics simulation of primary ammonium ions with different alkyl chains on the muscovite (001) surface

Molecular dynamics simulation of primary ammonium ions with different alkyl chains on the muscovite (001) surface

Investigation of dodecylammonium adsorption on mica, albite and quartz surfaces by QM/MM simulation

The Microscopic Structure and Adsorption Performance of Amide Ions on the Mica (001) Surface

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