Molecular dynamics simulation of the influence of polyacrylamide on the stability of sodium dodecyl sulfate foam

Wu, Gang; Zhu, Qianqian; Yuan, Congtai; Wang, Hongbing; Li, Chunling; Sun, Su-Qin; Hu, Songqing

doi:10.1016/j.ces.2017.03.011

Cited by 41 publications

(17 citation statements)

References 31 publications

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“…One can see that C‐1‐2 has the most significant coordination number, which indicates that the water molecule number around the head group of C‐1‐2 is the biggest. It is known that C‐1‐2 has the most vital interaction with water molecules from the above analysis 27 . Therefore, it can be inferred that the movement of most of the water molecules in the C‐1‐2 foam system is bound in the first hydration layer, which reduces the flow rate of the liquid film, thereby giving it the most substantial foam stability.…”

Section: Resultsmentioning

confidence: 98%

“…The radial distribution function of the particles usually has a peak. The coordination number of the target particle can be obtained by integrating the first peak 27 . In the characterization of the microstructure, the coordination number can describe the tightness of the particle arrangement in the system.…”

Section: Methodsmentioning

confidence: 99%

“…The coordination number of the target particle can be obtained by integrating the first peak. 27 In the characterization of the microstructure, the coordination number can describe the tightness of the particle arrangement in the system. The larger the coordination number, the tighter the particle arrangement.…”

Section: Molecular Dynamics Simulationmentioning

confidence: 99%

See 2 more Smart Citations

Molecular dynamics simulation on the structure–activity relationship between the Gemini surfactant and foam properties

Tang¹,

Song²,

Zha³

et al. 2022

AIChE Journal

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The structure-activity relationship between the molecular structure of Gemini surfactants and foam properties has not yet been deeply revealed. In this study, we clarified for the first time the structure-activity relationship between foam properties and molecular structure of Gemini surfactant by discussing the variation characteristics of parameters such as free energy of interface formation, radial distribution function, and mean square displacement calculated by molecular simulation method. The research results show that (1) the Gemini surfactant with the sulfonic acid head group has the most excellent foam properties; (2) the foam properties increase monotonously with the increase of the hydrophobic tail chain length; (3) the foam properties decrease monotonously with the increase of the spacer group length. It is hoped that this article can further broaden the application range of surfactants as foaming agents in industrial fields such as oil and gas exploitation.

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Section: Resultsmentioning

confidence: 98%

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Molecular dynamics simulation on the structure–activity relationship between the Gemini surfactant and foam properties

Tang¹,

Song²,

Zha³

et al. 2022

AIChE Journal

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“…Wu et al [51] employed MD method to explore the effect of polymer (polyacrylamide, PAM) concentration and hydrolysis degree on the stability of SDS foam system, the results suggest that the interaction between PAM and SDS increases the membrane elasticity, and with increasing PAM concentration, the number of water molecules around the SDS head group increases, and when the hydrolysis degree of HPAM is within 20∼30%, the SDS foam system has strong water retention and the best foam stability.…”

Section: Application Of Molecular Simulation In Foam Floodingmentioning

confidence: 99%

Research on the application of molecular simulation technology in enhanced oil-gas recovery engineering

Yuan

Xie

et al. 2021

E3S Web Conf.

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In recent years, molecular simulations have received extensive attention in the study of reservoir fluid and rock properties, interactions, and related phenomena at the atomistic scale. For example, in molecular dynamics simulation, interesting properties are taken out of the time evolution analysis of atomic positions and velocities by numerical solution of Newtonian equations for all atomic motion in the system. These technologies assists conducting “computer experiments” that might instead of be impossible, very costly, or even extremely perilous to carry out. Whether it is from the primary oil recovery to the tertiary oil recovery or from laboratory experiment to field test, it is difficult to clarify the oil displacement flow mechanism of underground reservoirs. Computer molecular simulation reveals the seepage mechanism of a certain oil displacement at the microscopic scale, and enriches the specific oil displacement flow theory system. And the molecular design and effect prediction of a certain oil-displacing agent were studied, and its role in the reservoir was simulated, and the most suitable oil-displacing agent and the best molecular structure of the most suitable oil-displacing agent were obtained. To give a theoretical basic for the development of oilfield flooding technology and enhanced oil/gas recovery. This paper presents an overview of molecular simulation techniques and its applications to explore enhanced oil/gas recovery engineering research, which will provide useful instructions for characterizing the reservoir fluid and rock and their behaviors in various oil-gas reserves, and it greatly contribute to perform optimal operation and better design of production plants.

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“…Wang et al [44] explored the adsorption structure of oppositely charged polyelectrolyte and ionic surfactant complexes at the interface using molecular dynamics simulations. Wu et al [45] reported the effect of the polyacrylamide (PAM) concentration and the hydrolysis degree of HPAM on the adsorption layer of sodium dodecyl sulfate (SDS) at the air-water interface through molecular dynamics simulation methods.…”

Section: Introductionmentioning

confidence: 99%

Improvement of Foaming Ability of Surfactant Solutions by Water-Soluble Polymers: Experiment and Molecular Dynamics Simulation

Wang

et al. 2020

Polymers

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Aqueous foam is widely used in fire extinguishing and dust suppression technologies. Improving the foaming ability is the key to reducing the added concentration of foaming agents as well as the economic cost. In this work, the effect of a water-soluble polymer (polyvinyl alcohol, PVA) on the foaming ability of anionic surfactant (sodium dodecyl ether sulfate, SDES) was studied by an experiment and molecular dynamics simulation. The experimental results showed that PVA greatly improves the foaming ability of SDES solutions when the surfactant concentration is less than 0.1%, which is attributed to the fact that the polymer can enhance the stability of bubble films and reduce the bubble rupture rate during the foam generation process. The simulation results indicate that PVA can enhance the hydration of surfactant head groups and contribute to the formation of a three-dimensional hydrogen bond network between surfactants, polymers, and water molecules, thus greatly improving the stability of bubble liquid films. The above results suggest that water-soluble polymers can be used to improve the foaming ability of surfactant solutions by enhancing the bubble film stability, which is beneficial as it reduces the added concentration of foaming agents in aqueous foam applications.

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Molecular dynamics simulation of the influence of polyacrylamide on the stability of sodium dodecyl sulfate foam

Cited by 41 publications

References 31 publications

Molecular dynamics simulation on the structure–activity relationship between the Gemini surfactant and foam properties

Molecular dynamics simulation on the structure–activity relationship between the Gemini surfactant and foam properties

Research on the application of molecular simulation technology in enhanced oil-gas recovery engineering

Improvement of Foaming Ability of Surfactant Solutions by Water-Soluble Polymers: Experiment and Molecular Dynamics Simulation

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