Dissipative particle dynamics investigation of demulsification process and mechanism of comb‐like block polyether

Hu, Cun; Liu, Shuai; Fang, Shenwen; Xiang, Wei; Duan, Ming

doi:10.1002/pat.4439

Cited by 14 publications

(8 citation statements)

References 50 publications

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“…As shown in eq , to sample the distribution of the regular system synthesis, the fluctuation–dissipation theorem must be obeyed. r ij is the distance between two beads, θ ij denotes a random number with zero mean and zero unit variance, and η is the dissipative force amplitude . As shown in eq above, the combined action of the random force and dissipative force is equivalent to a thermostat that maintains momentum and can guarantee correct hydrodynamics on a sufficiently long time and space scale. , …”

Section: Research Methods and Modelsmentioning

confidence: 99%

“…r ij is the distance between two beads, θ ij denotes a random number with zero mean and zero unit variance, and η is the dissipative force amplitude. 56 As shown in eq 6 above, the combined action of the random force and dissipative force is equivalent to a thermostat that maintains momentum and can guarantee correct hydrodynamics on a sufficiently long time and space scale. 44,57 The conservative force is a soft repulsive force that can be calculated by the Flory−Huggins binary interaction parameter.…”

Section: Acs Omegamentioning

confidence: 99%

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Dissipative Particle Dynamics-Based Simulation of the Effect of Asphaltene Structure on Oil–Water Interface Properties

Liang,

Liu,

Jiang

et al. 2023

ACS Omega

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Asphaltenes are the main substances that stabilize emulsions during the production, processing, and transport of crude oil. The purpose of this research is to investigate the process of asphaltenes forming interfacial films at the oil−water interface by means of dissipative particle dynamics (DPD) and the effect of asphaltenes of different structures on the oil−water interface during the formation of interfacial film. It is demonstrated that the thickness of the interfacial film formed at the oil−water interface gradually increases as the asphaltene concentration rises and the amount of asphaltene adsorbed at the oil−water interface gradually multiplies. Both the number and type of heteroatoms in asphaltenes affect the interfacial behavior of asphaltenes. The interface activity of asphaltenes can be enhanced by increasing the number of heteroatoms in the asphaltene, and the type of heteroatom affects as well the interfacial activity of the asphaltene as it affects the aggregation behavior of the asphaltene in the system. As the number of asphaltene aromatic rings increases, the oil−water interfacial tension (IFT) trends down gradually, while the effect of alkyl side chains on the reduction of IFT of asphaltenes is different, and asphaltenes with medium length alkyl side chains can reduce IFT more efficiently.

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Section: Research Methods and Modelsmentioning

confidence: 99%

Section: Acs Omegamentioning

confidence: 99%

Dissipative Particle Dynamics-Based Simulation of the Effect of Asphaltene Structure on Oil–Water Interface Properties

Liang,

Liu,

Jiang

et al. 2023

ACS Omega

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“…Demulsifying properties of ILs and PILs were evaluated according to the bottle test 12 . For each test, 5 mL of the stable W/O emulsion (20% v/v) was injected into the test bottle.…”

Section: Methodsmentioning

confidence: 99%

Imidazolium‐based poly(ionic liquid)s for demulsification of water in crude oil emulsions

Ahmadi

Mohamadnia

2021

Polymers for Advanced Techs

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Imidazolium‐based ionic liquids (ILs) and their corresponding poly(ionic liquid)s (PILs) as powerful demulsifiers for water separation from the crude oil emulsions were used. Vinyl imidazolium‐based ILs were prepared and then polymerized according to the free radical homo‐polymerization. NMR and FT‐IR analyses confirmed the successful synthesis of ILs and their corresponding polymers. Demulsifying properties of different synthetic ILs, including [C12‐VIM][Br], [C10‐VIM][Br], [C8‐VIM][Br], [C6‐VIM][Br], [C4‐VIM][Br], and [Benzyl‐VIM][Br]) and their analogous poly(ionic liquid)s were evaluated and compared with each other. The influence of the important parameters on the emulsion breaking such as demulsifier concentration, the alkyl chain length of the synthesized demulsifiers, and the operating factors such as the stirring rate, stirring time, and temperature were investigated through the bottle test. Maximum dehydration efficiencies around 99.2% for [C12‐VIM][Br] at 400 ppm and 100% for P[C12‐VIM][Br] at 50 ppm were achieved after 4 hours at 70°C, 15 minutes stirring time, and 800 rpm stirring rate. After demulsification of the crude oil emulsions, the interfacial tension decreased from 22.18 ± 0.1 to 0.83 ± 0.2 mN/m for [C12‐VIM][Br] and from 20.18 ± 0.2 to 0.70 ± 0.2 mN/m for P[C12‐VIM][Br]. The average diameter of the water droplets increased from 2‐10 ± 0.63 to 30‐140 ± 0.51 for [C12‐VIM][Br] within 20 minutes. In addition, the residual water content decreased from 20% to 0.04% for [C12‐VIM][Br] within 24 hours.

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“…Evidently, the extremely hydrophilic PAA is of poor emulsifying ability, while the hydrophobic grafting modification endows PAA with higher surface activity to reduce the interfacial tension, thus dramatically inhibiting emulsion droplet coalescence. All in all, the superior emulsifying ability of P(AA-co-ODA) is conducive to acquiring a stable miscible system, which facilitates the subsequent treatments based on the emulsion, 22 such as polymerization and demulsification.…”

Section: Surface Activity Analysis Of P(aa-co-oda)mentioning

confidence: 99%

Designing, Synthesizing, and Analyzing a Comb-like Polymeric Surfactant, Poly(acrylic acid-co-octadecyl acrylate), in a Multidisciplinary Laboratory Experiment

et al. 2021

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As an outcome of multidiscipline integration, the polymeric surfactant is of growing importance in modern industry and scientific research. However, the instructional introduction on polymeric surfactants is still insufficient in universities nowadays. In order to effectively guide undergraduates to study polymeric surfactant, a new polymeric surfactant, poly(acrylic acid-co-octadecyl acrylate), was designed and synthesized by copolymerization between acrylic acid and octadecyl acrylate. Moreover, its surface activity and rheological performance were also analyzed by contact angle meter, laser scanning confocal microscope, polarizing microscope, and rotary rheometer. Generally, as a combination of the hands-on exercise with theoretical lecture, this laboratory experiment enabled students to understand the key concepts and chemical nature of polymeric surfactants in depth. In addition, the ability to incorporate multidiscipline concepts into the practical issues students must solve was also cultivated by this exercise.

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Dissipative particle dynamics investigation of demulsification process and mechanism of comb‐like block polyether

Cited by 14 publications

References 50 publications

Dissipative Particle Dynamics-Based Simulation of the Effect of Asphaltene Structure on Oil–Water Interface Properties

Dissipative Particle Dynamics-Based Simulation of the Effect of Asphaltene Structure on Oil–Water Interface Properties

Imidazolium‐based poly(ionic liquid)s for demulsification of water in crude oil emulsions

Designing, Synthesizing, and Analyzing a Comb-like Polymeric Surfactant, Poly(acrylic acid-co-octadecyl acrylate), in a Multidisciplinary Laboratory Experiment

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