Large Scale Hydrodynamically Coupled Brownian Dynamics Simulations of Polymer Solutions Flowing through Porous Media
Abstract
:1. Introduction
2. Method
2.1. Equation of Motion for the Polymer Blobs
2.2. Equation of Motion for the Fluid Blobs
2.3. Solutions of the Equations of Motion
3. Force Fields
3.1. The Conservative Potentials
3.2. The Transient Potential
3.3. The Equation of State
4. Interaction of the Fluid with the Solid
5. Weights and System Parameters
6. Results and Discussion
6.1. Flow through Cylindrical Porous Media
6.1.1. Pressure Drop in the Positive x Direction
6.1.2. Pressure Drop along the Positive x-y Diagonal
6.2. Flow through Cuboidal Porous Media
6.2.1. Pressure Drop in the Positive x Direction
6.2.2. Pressure Drop along the Positive x-y Diagonal
7. Conclusions and Scope for Further Research
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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System Parameter | Symbol | Value | Unit |
---|---|---|---|
Solute length scale | 5.0 | m | |
Friction coefficient | 1.0 × | kg/s | |
Number of Kuhn segments | p | 300,000 | - |
Concentration of polymers | C | 2.5 | C * |
Maximum number density of polymers | 1.0 × | C * | |
Number of polymers | 33,062 | - | |
Flory Huggins interaction parameter | 0.5 | - | |
Strength of polymer interactions | 500 | ||
Relaxation time | 1.0 | s | |
Spring constant | k | 50 | |
Solvent length scale | h | 10.0 | m |
Resolution of fluid | 1.9099 | particles/ | |
Number of fluid blobs | 13,228 | - | |
Density of fluid | 1000 | kg/ | |
Viscosity of fluid | 1.0 | mPa·s | |
Pressure coefficient | 0.13 | Pa | |
Time step | 10.0 | s | |
Temperature | T | 300 | K |
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Ahuja, V.R.; van der Gucht, J.; Briels, W. Large Scale Hydrodynamically Coupled Brownian Dynamics Simulations of Polymer Solutions Flowing through Porous Media. Polymers 2022, 14, 1422. https://doi.org/10.3390/polym14071422
Ahuja VR, van der Gucht J, Briels W. Large Scale Hydrodynamically Coupled Brownian Dynamics Simulations of Polymer Solutions Flowing through Porous Media. Polymers. 2022; 14(7):1422. https://doi.org/10.3390/polym14071422
Chicago/Turabian StyleAhuja, Vishal Raju, Jasper van der Gucht, and Wim Briels. 2022. "Large Scale Hydrodynamically Coupled Brownian Dynamics Simulations of Polymer Solutions Flowing through Porous Media" Polymers 14, no. 7: 1422. https://doi.org/10.3390/polym14071422