Influence of ionic strength and surfactant concentration on the alkane contaminant desorption in solution: A molecular dynamics simulation

Shen, Rongqi; Bai, Qingshun; Li, Yuhai; Guo, You Guang; Zhang, Peng

doi:10.1016/j.molliq.2021.118154

Cited by 7 publications

(3 citation statements)

References 39 publications

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“…Although the electrostatic attraction tended to disappear after complete neutralization, the adsorption of SDS continued due to the strong hydrogen bonding interaction of the bare O atom in the −SO 3 – group with the surrounding water molecules and the presence of hydrophobic interactions (including dispersion force interactions) and van der Waals forces between SDS and PVB. − In summary, the adsorption of SDS on PVB was mainly chemisorbed at the beginning and mainly physisorption afterward. This was the same as the result of the D–R model.…”

Section: Conclusion and Discussionmentioning

confidence: 98%

Adsorption of Sodium Dodecyl Sulfonate from Aqueous Solution by Polyvinyl Butyral: Kinetics and Thermodynamics

Sun

Zeng

2023

Ind. Eng. Chem. Res.

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During the synthesis of polyvinyl butyral (PVB), sodium dodecyl sulfonate (SDS) is generally added in appropriate amounts, which prevents PVB from agglomeration but also causes PVB to turn yellow. The removal of SDS and its final residue in PVB are closely related to the adsorption performance of SDS on PVB. In this study, PVB with a high acetal degree (81.96 mol %) was synthesized by polyvinyl alcohol and butyraldehyde and was characterized by 1H NMR, Fourier transform infrared spectroscopy, scanning electron microscopyenergy-dispersive X-ray spectroscopy, and other methods. The adsorption properties of SDS on PVB were investigated under different initial pHs, PVB doses, PVB particle sizes, contact times, initial SDS concentrations, and temperatures. The adsorption kinetic data were analyzed using pseudo-first-order, pseudo-second-order, Elovich, and intraparticle diffusion models. The results showed that the pseudo-second-order model fitted the adsorption data well, and the intraparticle diffusion was not the only control mechanism for PVB adsorption. The equilibrium data were analyzed with Langmuir, Freundlich, Temkin, and Dubinin–Radushkevich models. The results showed that the adsorption data conformed to the Langmuir model, and the maximum adsorption capacity of PVB for SDS was 40.5168 mg/g at 290.15 K. Moreover, the Dubinin–Radushkevich model illustrated that the adsorption process was chemisorption at low SDS concentrations and physical adsorption otherwise. The thermodynamic parameters showed that the adsorption of SDS on PVB was spontaneous and exothermic. In conclusion, the research results provide some basis for the PVB purification plant equipment.

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Section: Conclusion and Discussionmentioning

confidence: 98%

Adsorption of Sodium Dodecyl Sulfonate from Aqueous Solution by Polyvinyl Butyral: Kinetics and Thermodynamics

Sun

Zeng

2023

Ind. Eng. Chem. Res.

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“…Shen et al found that high salinity induced the oily liquid droplet to be more hydrophilic. 13 At a low ion concentration (<0.1 mol L −1 ), the oily liquid droplets were tightly packed and deformed into polygonal shapes. 14 In other words, the stability of the oily liquid droplet strongly depended on the ions.…”

Section: Introductionmentioning

confidence: 99%

Effect of inevitable ions on kerosene droplet formation and evolution

Zhang,

Zhu,

et al. 2024

J of Chemical Tech & Biotech

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Understanding the effect of ions on collector generation characteristics is crucial for adjusting the oil/water interface and enhancing mineral flotation. We conducted a study of kerosene droplet generation process in the presences of NaCl, MgCl2 and AlCl3 using the high‐speed motion acquisition system. The results showed that the generation process of kerosene droplet could be divided into two stages that droplet expansion and column contraction according to the variation of the droplet width. With the increasing capillary inner diameter, the generation time of the kerosene droplet increased while the w/h value (column width/column height) of the kerosene column decreased. Until the w/h value decreased to 0, the droplet column ruptured and the droplet separated from the capillary. As the ion valence increased, the equivalent diameter (d) of the kerosene droplet increased due to the ionic hydration and followed the order dAl3+ > dMg2+ > dNa+. Furthermore, as the ion concentration increased, the equivalent diameter increased with the same capillary inner diameter, and the w/h value decreased. A model of the kerosene column height and capillary inner diameter (R) was established to predict the characteristics of the generating kerosene droplet.This article is protected by copyright. All rights reserved.

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“…Furthermore, molecular dynamics simulation has demonstrated its efficacy in thoroughly investigating the behavior of conformational changes and the mechanism for removing contaminants. , Shen et al concluded that maintaining the cleanliness of the optics is critical for high-power laser systems and therefore identified a variety of factors that influence the cleaning effect, including ion concentration, surfactant concentration, and molecular weight of the organic molecules. Li et al found that surfactant molecules promote the formation of water channels between the oil molecules and the surface of silicon dioxide, which in turn allows the oil droplets to detach from the surface.…”

Section: Introductionmentioning

confidence: 99%

Investigation of the Multimechanism Laser Cleaning Dynamics for Rough Fused Silica Surfaces with Organic Contaminants: A Computational Simulation and Atomic Analysis

Wang,

Bai,

et al. 2023

Langmuir

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The detrimental impact of organic contaminants on optical components poses a significant obstacle to high-energy laser systems. However, irregularities or defects on the surface of optical components during manufacturing can affect the process of organic contaminant removal. Thus, a comprehensive understanding of the intricate interplay among surface roughness, contaminant absorption, and ablation is essential to effectively address the challenges of laser-induced damage. In this study, a molecular dynamics approach was employed to investigate the interaction between laser-fused silica and contaminants and to analyze the influence of surface roughness on the removal of contaminants from fused silica. Research findings demonstrate that during laser irradiation, organic contaminants on the surface of mechanical components diffuse into the optical elements. As the laser flux increases, the contaminants gradually decompose into smaller molecular clusters. Additionally, the phenomenon of contaminant ablation is observed to consist of two distinct phases: the “Thermal expansion phase” and the “Thermal ablation phase.” The study examines the impact of substrate roughness on the contaminant removal in these two phases. It is found that a higher surface roughness leads to stronger thermal expansion and vaporization of contaminants. With increasing roughness of the fused silica substrate, the corresponding van der Waals energy and pressure decrease under the same laser fluence, making the removal of contaminants easier. These results provide valuable insights into the interaction between laser irradiation and organic contaminants.

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Influence of ionic strength and surfactant concentration on the alkane contaminant desorption in solution: A molecular dynamics simulation

Cited by 7 publications

References 39 publications

Adsorption of Sodium Dodecyl Sulfonate from Aqueous Solution by Polyvinyl Butyral: Kinetics and Thermodynamics

Adsorption of Sodium Dodecyl Sulfonate from Aqueous Solution by Polyvinyl Butyral: Kinetics and Thermodynamics

Effect of inevitable ions on kerosene droplet formation and evolution

Investigation of the Multimechanism Laser Cleaning Dynamics for Rough Fused Silica Surfaces with Organic Contaminants: A Computational Simulation and Atomic Analysis

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