Molecular Insight into the Possible Mechanism of Drag Reduction of Surfactant Aqueous Solution in Pipe Flow

Kobayashi, Yusei; Gomyo, Hirotaka; Arai, Noriyoshi

doi:10.3390/ijms22147573

Cited by 11 publications

(3 citation statements)

References 73 publications

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“…DPD was proposed by Hoogerbrugge and Koelman 26 and then improved by Español and Warren. 27 Many researchers [28][29][30][31][32][33][34] have extensively investigated surfactant solutions using the DPD method. Since particles interact via soft repulsive interactions in DPD, we can make time steps larger than CGMD, which allows us to simulate large systems for long timescales with a low computational cost.…”

Section: Introductionmentioning

confidence: 99%

Flow-induced scission of wormlike micelles in nonionic surfactant solutions under shear flow

Koide

Goto

2022

The Journal of Chemical Physics

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We investigate flow-induced scission of wormlike micelles with dissipative particle dynamics simulations of nonionic surfactant solutions under shear flow. To understand flow-induced scission in terms of micellar timescales, we propose a method to evaluate the longest relaxation time of unentangled surfactant micelles from the rotational relaxation time and the average lifetime at equilibrium. The mean squared displacement of surfactant molecules provides evidence that the longest relaxation time estimated by the proposed method serves as the characteristic timescale at equilibrium. We also demonstrate that the longest relaxation time plays an essential role in flow-induced scission. Using conditional statistics based on the aggregation number of micelles, we examine the statistical properties of the lifetime of wormlike micelles. We then conclude that flow-induced scission occurs when the Weissenberg number defined as the product of the longest relaxation time and the shear rate is larger than a threshold value.

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Section: Introductionmentioning

confidence: 99%

Flow-induced scission of wormlike micelles in nonionic surfactant solutions under shear flow

Koide

Goto

2022

The Journal of Chemical Physics

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“…On the one hand, surfactant micelles formed in the solution could inhibit energy dissipation in the turbulent flow, ,, thus reducing the flow resistance. The effect of concentration and solution pH on the turbulent DR performance of surfactants is also due to the variation in the micelle structure.…”

Section: Results and Discussionmentioning

confidence: 99%

Control of Both Ionic Properties and Micellar Structure for Enhanced Turbulent Drag Reduction Performance of Surfactant Solutions

Li,

Hui,

Jin

et al. 2023

Ind. Eng. Chem. Res.

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Surfactants with various ionic properties have been broadly employed as assisting or main additives for fluid drag reduction. However, how the micellar structure of surfactants affects their turbulence drag reduction performance has not been systematically investigated, and the underlying mechanism remains unclear. In this study, we present a systematic experimental investigation of the turbulent drag reduction performance of surfactants with head groups of different ionic properties in a circular tube. By controlling such fluid parameters as surfactant ionic properties and concentration, flow time, turbulence intensity, and pH value, we were able to obtain surfactant solutions of various micellar structures, which make it possible to investigate the underlying mechanism between microscale assembly morphology and the resulting drag reduction performance of surfactants under turbulence conditions. Overall, the zwitterionic surfactant BS-12 has the best drag reduction performance, followed by the anionic surfactant sodium dioctyl sulfosuccinate and the nonionic surfactant polyoxyethylene lauryl ether, and finally the cationic surfactant hexadecyltrimethylammonium chloride. The spreading characteristics of the different types of surfactant solutions on a metal plate were experimentally investigated, and the spreading coefficient is positively correlated with turbulent drag reduction rate induced by the surfactant. The mechanism of turbulent drag reduction induced by surfactants with different ionic properties has been explored, and it turns out that the micelle structure formed by surfactants is the main cause of turbulent drag reduction. The increase in the supermolecular structure size of the surfactant molecules in solution is beneficial in improving its turbulent drag reduction performance.

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“…A dissipative particle dynamics (DPD) simulation [1,2] method is a type of coarsegrained molecular simulation method, which has proven to be a powerful tool for investigating fluid events occurring on a wide range of spatio-temporal scales compared to all-atom simulations. Using DPD method, many studies have been conducted for both the statics and dynamics of complex system at the mesoscopic level, such as unique self-assembled structures formed by nanoparticles or polymers [3][4][5][6], mechanical or rheological properties of soft materials [7][8][9], medical materials and biological functions [10][11][12][13], and so forth. Huang et al [4] proposed a method to fabricate various two-dimensional nanostructures using selfassembly of block copolymers and demonstrated it in DPD simulations.…”

Section: Introductionmentioning

confidence: 99%

A stochastic Hamiltonian formulation applied to dissipative particle dynamics

Peng,

Arai,

Yasuoka

2022

Preprint

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In this paper, a stochastic Hamiltonian formulation (SHF) is proposed and applied to dissipative particle dynamics (DPD) simulations. As an extension of Hamiltonian dynamics to stochastic dissipative systems, the SHF provides necessary foundations and great convenience for constructing efficient numerical integrators. As a first attempt, we develop the Störmer-Verlet type of schemes based on the SHF, which are structure-preserving for deterministic Hamiltonian systems without external forces, the dissipative forces in DPD. Long-time behaviour of the schemes is shown numerically by studying the damped Kubo oscillator. In particular, the proposed schemes include the conventional Groot-Warren's modified velocity-Verlet method and a modified version of Gibson-Chen-Chynoweth as special cases. The schemes are applied to DPD simulations and analysed numerically.

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Molecular Insight into the Possible Mechanism of Drag Reduction of Surfactant Aqueous Solution in Pipe Flow

Cited by 11 publications

References 73 publications

Flow-induced scission of wormlike micelles in nonionic surfactant solutions under shear flow

Flow-induced scission of wormlike micelles in nonionic surfactant solutions under shear flow

Control of Both Ionic Properties and Micellar Structure for Enhanced Turbulent Drag Reduction Performance of Surfactant Solutions

A stochastic Hamiltonian formulation applied to dissipative particle dynamics

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