Modeling of Branched Thickening Polymers under Poiseuille Flow Gives Clues as to How to Increase a Solvent’s Viscosity

Mayoral, E.; Goicochea, A. Gama

doi:10.1021/acs.jpcb.0c11087

Cited by 9 publications

(10 citation statements)

References 69 publications

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“…In the case of macromolecules, multiple beads were connected together by a harmonic spring with constant k S [12]. Similar to the MD simulation, the time evolution of the multi-body system was controlled by the Newton Equations to control the motion in the DPD, which was used to estimate the trajectory of the DPD beads [13]. In addition to the above forces, for polymer or chain systems, additional forces F ij Bond due to bonding should also be included.…”

Section: Methods 21 Dissipative Molecular Dynamics Fundamental Equati...mentioning

confidence: 99%

Low temperature simulation of ammonia refrigeration based on dissipative molecular dynamics

et al. 2023

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To solve the problem of heat resistance of the oil film in the evaporator pipeline of the ammonia refrigeration system, it is extremely important to study the interaction mechanism of the oil/ammonia system. The method of dissipative molecular dynamics is used to simulate the oil/ammonia flow state at different temperatures and concentrations, and the mechanism of its interaction was analyzed. It was also found that various parameters are greatly affected by temperature in the research process, the linear relationship of temperature on various parameters was quantitatively calculated. The oil/ammonia system were divided into emulsion and layered liquid. The oil phase (or ammonia phase) with low percentage at low temperature all exists in the form of droplets. The oil-ammonia interfacial tension first increases and then decreases with the increase of oil content. At the same temperature, the interfacial tension reached its maximum when the oil content was 70%. The oil percentage of 30% concentration was the phase inversion point. When the oil percentage was 30-70%, the oil and ammonia two phases were stratified, and the oil adhered to the surface of the pipe wall. Therefore, the heat transfer performance of the system was the worst when the oil content was 30-70%. As the temperature increased, the interaction parameter aij decreased significantly. The linear relationship between ? and 1/T was very consistent with the Flory-Huggins mean field theory. This linear equation provided a basis for subsequent related research.

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Section: Methods 21 Dissipative Molecular Dynamics Fundamental Equati...mentioning

confidence: 99%

Low temperature simulation of ammonia refrigeration based on dissipative molecular dynamics

et al. 2023

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“…Therefore, the experimental intrusion pressure ( P ) is calculated using Equation ()

\begin{matrix} P = ρ g h_{\max} \end{matrix}

where ρ is the density of different types of oil, g is the acceleration of gravity, and h max is the maximum height of oil that the mesh can withstand. At the same time, the theoretical intrusion pressure Δ Pc is calculated by using Equation () [ 47,48 ]

\begin{matrix} {normalΔ}_{Pc} = - \frac{2 γ_{ow} \cos θ_{ow}}{d} \end{matrix}

where γ ow is the interfacial tension of water and oil, [ 49–54 ] θ is CA of underwater oil, and d is the average diameter of the mesh.…”

Section: Methodsmentioning

confidence: 99%

Nacre‐Inspired Biomineralized Mesh toward Scalable and Robust Oil–Water Separation with High Efficiency

Chen

Wang

et al. 2021

Adv Materials Inter

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The leakage of offshore crude oil and the discharge of industrial oily wastewater always bring great harm to human health and ecological environment. To solve these problems, advanced interfacial materials for oil–water separation have attracted wide attentions. However, most of these materials still have several disadvantages including complicated preparation process, low separation efficiency, and easy damage. Herein, a nacre‐inspired biomineralized mesh (NBM) with underwater superoleophobicity shows scalable and robust oil–water separation with high efficiency. Through the combination of dip coating and biomineralization, the NBM is readily scalable fabrication. Similar chemical components and micro‐nanostructures to the natural nacre endow the NBM with good mechanical properties. Furthermore, the NBM can resist to sand impingement and knife scratch along high efficiency of oil–water separation (≈99.9%) even after repeated use for 50 times, which may come from its high hardness and Young's modulus. Therefore, this study provides new insights for the scalable development of oil–water separation materials with high efficiency and robustness.

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“…A useful alternative is coarse-grained computer simulations, where the short-range, non-electrostatic interactions allow for the modeling of entangled PE complex solutions. 34 Here we report mesoscale numerical simulations of PEs in an aqueous solution under a Poiseuille ow for increasing stiffness of the PE chains and predict the viscosity. The inuence of solvent quality on viscosity is studied as well as the net charge of the coarse-grained salt ions.…”

Section: Introductionmentioning

confidence: 99%

The viscosity of polyelectrolyte solutions and its dependence on their persistence length, concentration and solvent quality

2022

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Modeling of Branched Thickening Polymers under Poiseuille Flow Gives Clues as to How to Increase a Solvent’s Viscosity

Cited by 9 publications

References 69 publications

Low temperature simulation of ammonia refrigeration based on dissipative molecular dynamics

Low temperature simulation of ammonia refrigeration based on dissipative molecular dynamics

Nacre‐Inspired Biomineralized Mesh toward Scalable and Robust Oil–Water Separation with High Efficiency

The viscosity of polyelectrolyte solutions and its dependence on their persistence length, concentration and solvent quality

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