Spin-probe ESR and molecular modeling studies on calcium carbonate dispersions in overbased detergent additives

Montanari, Luciano; Frigerio, Francesco

doi:10.1016/j.jcis.2010.04.008

Cited by 8 publications

(8 citation statements)

References 24 publications

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“…The TEM images mainly reflect the CaCO 3 core size, which is, on average, 30–40% smaller than the hydrodynamic diameter measured by DLS. The results on the micelle sizes in the detergents are consistent with other measurements, which confirm the stability of micelles under 60 nm in base oil. , …”

Section: Resultssupporting

confidence: 90%

“…The results on the micelle sizes in the detergents are consistent with other measurements, which confirm the stability of micelles under 60 nm in base oil. 28,29 The TGA curves in Figure 9a show the masses of Ca(Ar− SO 3 ) 2 •CaCO 3 with different core sizes in base oil. For the modified hydrophobic particles, significant decreases in weight occurred at temperatures ranging from 450 to 530 °C.…”

Section: Resultsmentioning

confidence: 99%

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Preparation of Calcium Benzene Sulfonate Detergents by a Microdispersion Process

Wang

et al. 2013

Ind. Eng. Chem. Res.

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This study presents a novel technique for the controllable preparation of calcium benzene sulfonate [Ca(Ar–SO3)2] detergents using a microdispersion process. Neutralization and carbonation were conducted in an oil-in-water system instead of the typical water-in-oil system. n-Butanol was employed as the oil phase for the in situ formation of the hydrophobic cores of the detergents. The mechanism of synthesis in different bulk phases was investigated. Microreactors were used to enhance the mixing performance and mass transfer. Low-cost Ca(OH)2 and dodecyl benzene sulfonic acid (Ar–SO3H) were supplied as the reactants. An efficient synthesis with a high utilization ratio of CO2 and a high product yield was achieved. CaCO3 nanoparticles with average sizes from 8 to 20 nm were used as detergent cores, and Ca(Ar–SO3)2 detergents with total base numbers (TBNs) ranging from 300 to 420 mg of KOH/g were successfully prepared.

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Section: Resultssupporting

confidence: 90%

Section: Resultsmentioning

confidence: 99%

Preparation of Calcium Benzene Sulfonate Detergents by a Microdispersion Process

Wang

et al. 2013

Ind. Eng. Chem. Res.

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“…It is possible to discern the more detailed structure and composition of overbased nanodetergents by virtue of adopting modern analytical techniques such as dynamic light scattering (DLS) [17], scanning/ transmission electron microscopy (SEM/TEM) [18,19], FTIR [20], nuclear magnetic resonance (NMR) [12,17], and small angle Xray and neutron scattering (SAXS/SANS) [21]. Besides, theoretical calculation and modeling have been developed to simulate the process and predict the morphological parameters (size and shape) of the colloidal particles [13,[22][23][24][25][26][27]. The widely accepted structure of nanodetergent, proposed by Markovic and Ottewill [28,29], is a core-shell type consisting of a spherical core of metal carbonate surrounded by a concentric shell of surfactant monolayer.…”

Section: Introductionmentioning

confidence: 99%

“…1Bshows some typical XRD patterns of detergents for different carbonation time together with the calcite pattern for contrast. No any crystalline peaks appeared in the XRD results of those products stopped before 125 min revealing the ACC character, while one could clearly observe a series of quite strong diffraction peaks of 2h at 20.9°,24.9°, 27.1°, 32.8°, 42.7°, 43.9°, 49.0°, 49.9°, 55.8°cor-responding to Miller indices (, typical of vaterite (JCPDS No. 33-0286 in space group P6 3 /mmc)…”

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confidence: 98%

Calcium carbonate phase transformations during the carbonation reaction of calcium heavy alkylbenzene sulfonate overbased nanodetergents preparation

Chen

Xiao

Chen

et al. 2011

Journal of Colloid and Interface Science

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“…The bonding potential function is composed of bond stretching, angular bending, dihedral angle torsion, out-of-plane interactions and cross terms and the nonbonding potential functional consists of the long-range electrostatic interactions and the short-range van der Waals (vdW) interactions. The PCFF is a widely used all-atom force field and has been validated to be capable of accurately predicting structural and thermodynamics properties for a broad range of organic and inorganic compounds, and the -C–SO 3 , -N-(CH 3 ) 3 and −OC– groups can be also well described by the PCFF. − …”

Section: Simulation Methods and Detailsmentioning

confidence: 99%

Molecular Dynamics Simulations of the Oil-Detachment from the Hydroxylated Silica Surface: Effects of Surfactants, Electrostatic Interactions, and Water Flows on the Water Molecular Channel Formation

et al. 2018

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The detachment process of an oil molecular layer situated above a horizontal substrate was often described by a three-stage process. In this mechanism, the penetration and diffusion of water molecules between the oil phase and the substrate was proposed to be a crucial step to aid in removal of oil layer/drops from substrate. In this work, the detachment process of a two-dimensional alkane molecule layer from a silica surface in aqueous surfactant solutions is studied by means of molecular dynamics (MD) simulations. By tuning the polarity of model silica surfaces, as well as considering the different types of surfactant molecules and the water flow effects, more details about the formation of water molecular channel and the expansion processes are elucidated. It is found that for both ionic and nonionic type surfactant solutions, the perturbation of surfactant molecules on the two-dimensional oil molecule layer facilitates the injection and diffusion of water molecules between the oil layer and silica substrate. However, the water channel formation and expansion speed is strongly affected by the substrate polarity and properties of surfactant molecules. First, only for the silica surface with relative stronger polarity, the formation of water molecular channel is observed. Second, the expansion speed of the water molecular channel upon the ionic surfactant (dodecyl trimethylammonium bromide, DTAB and sodium dodecyl benzenesulfonate, SDBS) flooding is more rapidly than the nonionic surfactant system (octylphenol polyoxyethylene(10) ether, OP-10). Third, the water flow speed may also affect the injection and diffusion of water molecules. These simulation results indicate that the water molecular channel formation process is affected by multiple factors. The synergistic effects of perturbation of surfactant molecules and the electrostatic interactions between silica substrate and water molecules are two key factors aiding in the injection and diffusion of water molecules and helpful for the oil detachment from silica substrate.

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Spin-probe ESR and molecular modeling studies on calcium carbonate dispersions in overbased detergent additives

Cited by 8 publications

References 24 publications

Preparation of Calcium Benzene Sulfonate Detergents by a Microdispersion Process

Preparation of Calcium Benzene Sulfonate Detergents by a Microdispersion Process

Calcium carbonate phase transformations during the carbonation reaction of calcium heavy alkylbenzene sulfonate overbased nanodetergents preparation

Molecular Dynamics Simulations of the Oil-Detachment from the Hydroxylated Silica Surface: Effects of Surfactants, Electrostatic Interactions, and Water Flows on the Water Molecular Channel Formation

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