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Development of a CFD simulation environment for
the determination of characteristic stress
parameters in an extrusion device
Hafiz Muhammad Shahzaib Raza, Study Thesis, 31/10/19
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 2
Motivation
[1] Jelle Smekens et al: “Influence of Electrode Density on the Performance of Li-Ion Batteries”, 2016
[1]
Slurry
preparation
Coating &
drying
Calendering
Cutting
electrodes
Cell
assembly
Electrolytes
filling &
formation
Slurry
preparation
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 3
Dispersion process
 The production of electrodes is achieved with the dispersion process.
Wetting Dispersing Stabilisation
[2]
[2] According to Jochum Beetsma: “The Differences Between Wetting Agents and Dispersants”, 2015
Dispersing
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 4
Extrusion device
 Dispersing process is carried out with the help of an extruder.
 Dispersive mixing is achieved with high shear rate.
[3]
[3] G. Angadi et al. “Effect of screw configuration on the dispersion of nanofillers”, 2017
High shear mixing
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 5
Kneading element and degree of filling
𝑉𝑖𝑛𝑙𝑒𝑡 = 0.034𝑙/𝑚𝑖𝑛Degree of filling: 70%
𝑉𝑜𝑢𝑡𝑙𝑒𝑡
ω
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 6
600 rpm
Simulation setup
120 rpm
Fine mesh
Coarse mesh
High viscosity
Low viscosity
High viscosity
Low viscosity
600 rpm
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 7
Animation of the flow
 The flow of the slurry in an extruder element.
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 8
Basic steps in CFD
 The basic steps for a CFD simulation process are:
Pre-processing Solver Post processing
[4]
[4] According to H K Versteeg: “An Introduction to Computational Fluid Dynamics. THE FINITE VOLUME METHOD”, 2007
 Geometry
 Mesh
 Physics
 Solver setting
 Compute solution  Examine results
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 9
Residuals and courant number
 Residuals are defined as:
 Imbalance of conserved variable in a control volume.
 Difference between actual and theoretical solution.
 Courant number is defined as:
[5]
[5] According to Christopher J. Greenshields: “OpenFOAM. The OpenFOAM Foundation. User Guide”, 2018
𝛿𝑥
𝑈
1.0x10-5
[5]
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 10
Residuals
 High residuals means unstable simulations.
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 11
Courant number
 The flow is transient but every cell is solved as steady state.
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 12
Execution time of the simulations
 The number of cells in fine mesh is increased by 15%
83%
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 13
High shear regions in an extruder
There are some region in the twin
screw element where the shear rate is
high.
 The high shear regions are:
 Upper lobal pool
 Lower lobal pool.
[6] According to Martin, C.: “Twin Screw Extruders as Continuous Mixers for Thermal Processing: a Technical and Historical Perspective. ”, 2016
[6]
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 14
Velocity magnitude
 The region of maximum velocity.
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 15
High shear regions in an extruder element
 The high shear region of a single element.
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 16
Shear rates
 Shear rate distribution with rotational speed of 120 rpm.
6.0x104 s-1
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 17
Shear rates
 Shear rate distribution with rotational speed of 600 rpm.
5.3x105 s-1
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 18
Shear rates 120 rpm vs 600 rpm
Direct comparison between shear rates.
 The maximum shear rates of both cases
are compared.
 500 % increase in rotational speed.
 527 % increase in shear rate.
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 19
Shear stress
 Shear stress in case with 120 rpm:
5.6x105 Pa
[7]
[7] Bröckel, U. et al.: “Product Design and Engineering. Formulation of Gels and Pastes. ”, 2013
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 20
Shear stress
 The shear stress in case of 600 rpm.
1.75x106 Pa
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 21
Shear stress 120 rpm vs 600 rpm
Direct comparison between shear stress.
 The maximum shear stresses of both
cases are compared.
 500 % increase in rotational speed.
 205 % increase in shear stress.
31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 22
Conclusions and outlook
 The simulation time of fine meshes are greater than the coarse meshes.
 The shear rate and stress produced with 600 rpm is high as compared to the rotational
speed of 120 rpm.
 The dispersing will be slightly high in high viscous slurries.
 High dispersive mixing will be achieved with high rotational speed.
 The results of fine meshes are more accurate and refined as compared to the coarse
mesh.
 The viscosity plays an important role in the dispersing process.
 For high rotational speed, mesh should be:
 Adjusted.
 Refined where fluctuations are high.
Development of a CFD simulation environment for
the determination of characteristic stress
parameters in an extrusion device
Hafiz Muhammad Shahzaib Raza, Study Thesis, 31/10/19

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CFD simulation of an extrusion device

  • 1. Development of a CFD simulation environment for the determination of characteristic stress parameters in an extrusion device Hafiz Muhammad Shahzaib Raza, Study Thesis, 31/10/19
  • 2. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 2 Motivation [1] Jelle Smekens et al: “Influence of Electrode Density on the Performance of Li-Ion Batteries”, 2016 [1] Slurry preparation Coating & drying Calendering Cutting electrodes Cell assembly Electrolytes filling & formation Slurry preparation
  • 3. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 3 Dispersion process  The production of electrodes is achieved with the dispersion process. Wetting Dispersing Stabilisation [2] [2] According to Jochum Beetsma: “The Differences Between Wetting Agents and Dispersants”, 2015 Dispersing
  • 4. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 4 Extrusion device  Dispersing process is carried out with the help of an extruder.  Dispersive mixing is achieved with high shear rate. [3] [3] G. Angadi et al. “Effect of screw configuration on the dispersion of nanofillers”, 2017 High shear mixing
  • 5. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 5 Kneading element and degree of filling 𝑉𝑖𝑛𝑙𝑒𝑡 = 0.034𝑙/𝑚𝑖𝑛Degree of filling: 70% 𝑉𝑜𝑢𝑡𝑙𝑒𝑡 ω
  • 6. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 6 600 rpm Simulation setup 120 rpm Fine mesh Coarse mesh High viscosity Low viscosity High viscosity Low viscosity 600 rpm
  • 7. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 7 Animation of the flow  The flow of the slurry in an extruder element.
  • 8. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 8 Basic steps in CFD  The basic steps for a CFD simulation process are: Pre-processing Solver Post processing [4] [4] According to H K Versteeg: “An Introduction to Computational Fluid Dynamics. THE FINITE VOLUME METHOD”, 2007  Geometry  Mesh  Physics  Solver setting  Compute solution  Examine results
  • 9. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 9 Residuals and courant number  Residuals are defined as:  Imbalance of conserved variable in a control volume.  Difference between actual and theoretical solution.  Courant number is defined as: [5] [5] According to Christopher J. Greenshields: “OpenFOAM. The OpenFOAM Foundation. User Guide”, 2018 𝛿𝑥 𝑈 1.0x10-5 [5]
  • 10. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 10 Residuals  High residuals means unstable simulations.
  • 11. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 11 Courant number  The flow is transient but every cell is solved as steady state.
  • 12. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 12 Execution time of the simulations  The number of cells in fine mesh is increased by 15% 83%
  • 13. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 13 High shear regions in an extruder There are some region in the twin screw element where the shear rate is high.  The high shear regions are:  Upper lobal pool  Lower lobal pool. [6] According to Martin, C.: “Twin Screw Extruders as Continuous Mixers for Thermal Processing: a Technical and Historical Perspective. ”, 2016 [6]
  • 14. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 14 Velocity magnitude  The region of maximum velocity.
  • 15. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 15 High shear regions in an extruder element  The high shear region of a single element.
  • 16. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 16 Shear rates  Shear rate distribution with rotational speed of 120 rpm. 6.0x104 s-1
  • 17. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 17 Shear rates  Shear rate distribution with rotational speed of 600 rpm. 5.3x105 s-1
  • 18. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 18 Shear rates 120 rpm vs 600 rpm Direct comparison between shear rates.  The maximum shear rates of both cases are compared.  500 % increase in rotational speed.  527 % increase in shear rate.
  • 19. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 19 Shear stress  Shear stress in case with 120 rpm: 5.6x105 Pa [7] [7] Bröckel, U. et al.: “Product Design and Engineering. Formulation of Gels and Pastes. ”, 2013
  • 20. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 20 Shear stress  The shear stress in case of 600 rpm. 1.75x106 Pa
  • 21. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 21 Shear stress 120 rpm vs 600 rpm Direct comparison between shear stress.  The maximum shear stresses of both cases are compared.  500 % increase in rotational speed.  205 % increase in shear stress.
  • 22. 31.10.2019 | Hafiz Muhammad Shahzaib Raza | CFD simulation environment of an extrusion device | Slide 22 Conclusions and outlook  The simulation time of fine meshes are greater than the coarse meshes.  The shear rate and stress produced with 600 rpm is high as compared to the rotational speed of 120 rpm.  The dispersing will be slightly high in high viscous slurries.  High dispersive mixing will be achieved with high rotational speed.  The results of fine meshes are more accurate and refined as compared to the coarse mesh.  The viscosity plays an important role in the dispersing process.  For high rotational speed, mesh should be:  Adjusted.  Refined where fluctuations are high.
  • 23. Development of a CFD simulation environment for the determination of characteristic stress parameters in an extrusion device Hafiz Muhammad Shahzaib Raza, Study Thesis, 31/10/19

Editor's Notes

  1. LIB have been widely used in every field of consumer electronics as energy storage devices. LIB are facilitating a remarkable advance in portable electronics such as cell phones, tablets, laptops and cameras. Due to its lightweight and high energy density, the usage of these batteries in hybrid cars have been relatively increased recently.The steps involve in the production of lithium ion batteries are following. The preparation and processing of LIB slurries is a very important in the prodcution of LIB electrodes. The main focus of this study thesis is the CFD simulation setup to find out the stress parameters in LIB slurries in an extruder element.
  2. The mixing of powder into liquids, breaking of aggregates and agglomerates through mechanical energy shear forces and reduced to their particle size and stabilization of the process to prevent from uncontrolled flocculation are the three steps involved in a complete solid/liquid dispersion process. The conductivity of the LIB electrodes is highly affected by the particle size and the dispersion of carbon black agglomerates and aggregates in LIB slurries. Deagglomeration of agglomerated carbon black is achieved by the dispersing process and this process depends on the effective shear rates in the mixing device such as extruder,ball mills, planetary mixers . High speed rotational mixers are used for the dispersion process. The Deagglomeration process should be controlled because if the resulted CB particle size is too big or too small, it will negatively affect the conductivity of the resulting electrode. That is the reason why the dispersion of CB in the dispersion process is so important. The dispersion process is carried out with the help of high she
  3. Talk about how dispersion is achieved. Then explain extruder
  4. the extruder element which is filled up to 70 percent with suspension. The red color indicates the suspension or LIB slurry and the blue color indicates the boundary of the suspension that mean above blue color is air and the rest is suspension. The whole setup is enclosed in a cylinder with inlet and outlet and the flow of the slurry is 2 liter per hour .
  5. The simulations are bases on different rotational speed of the extruder element. So, in total 8 simulation are carried out. First the simulations were carried out with the rotational speed of 120 rpm or 12.57 and coarse mesh. The viscosity of the slurry was high at first and then the simulations were carried out with low viscosity . After completing the simulations with coarse mesh the same thing is repeated with the fine mesh. Moreover, the rotational speed of the TSE element is changed from 120 rpm to 600 rpm 62.83 rad/sec and aslod different simulations are carried.
  6. The extrude element is rotating Anti clockwise and flow is shown in the animation
  7. The simulations with 120 rpm completed upto defined time step of 1 minute while the simulations with 600 rpm did reach then time step of 1 minute. In a CFD analysis, the residual measures the local imbalance of a conserved variable in each control volume.. Residuals are the difference between our actual solution and the theoritcal solution.
  8. The residuals is one of the main factor for a smooth simulation process. It is a difference between solution of navier stokes equation and the actual results. The momentum residuals is shown in the figure and the residuals should be of the order of 10-6. as it is clear from the plots that the residuals with 120 rpm is under control which is the power of -6 but the residuals reached at almost 1 with 600 rpm with the progression of the simulation. That is the main reason behind the ceasing of the simulations . Some simulations of 600 rpm reach the time of 0.08 minute or 4,8 second and some of the simulations reached the time step of 0,15 minute of 9 second and after that the simulation stop.
  9. I said earlier that the courant number should be less than 1 but when we see the maximum value of courant number it is clear that it is more than 1 . Because our flow is transient and it means the velocity of the fluid is changing with time. So that is the reason why it is okay to have courant number more than one. But if the courant number is too high like 100. then the simulation will stop as it happened in cases with rotational sped of 600 rpm.
  10. The execution time of the simulations are plotted to see the different between on time taken by simulations with different parameters. The number of cell in fine is increased 14% more than the in coarse mesh and there is a 58 percent increase in the execution time of the simulation. Now, the results is compared on the basis of rotational speed and it is found out the simulations with 600 rpm fine mesh and low viscosity took 10 % more time than that of 120 rpm.
  11. The velocity of the suspension or slurries is high in the lobal regions of the extruder element. The elmene is rotating anti clockwise with the speed of 120 rpm . The sluurrrt at the upper and lower lobal region of the element is experiencing a rotational velocity of 15 ms-1 whole the regions do not produce such kind of high velocity. The change in velocity means that the LIB slurry will be experiencing a high shear rate and shear stress.
  12. The high shear rate region of the extruder element is shown in the figure. The screeshot is taken after the one compekre rotation of the extruder element with the rotational speed of 120 rpm.. As the elemnt is rotating anti clockwise and the maximum shear rate is at the upper lobal and lower lobal region of the extruder element. The strain rate is 6000 s-1 at the lobal region and the other regions of the screw element does not experience such high shear rate.
  13. the Density plots are made to see the effect of high and low viscosity and high and low rotational speed on the shear rates in the slurry. The dispersion of CB in the slurry is directly proportional to the shear rate produced during shear mixing of the slurries in the extruder. So high shear rate mean high dispersion. At first, the density plots are made qith the rotational speed of 120 rpm. As it is clear from the graph that the shear rate in case with coarse mesh and high viscosity the shear rate is maximum. It is almost 6.8e4 s-1. The shear rate with low viscous and coarse mesh is 8.5% more than the other cases. but when we move to the case with fine mesh. The shear rate of simulation with high viscosity is more as compared to the low viscosity. The results with fien mesh is contradicted the results with coarse mesh. The fine mesh results are more reliable because results of fine mesh are more refined. More cell means more refined and accurate results .
  14. Now the density plot of the shear rates with rotational speed of 600 rpm is made. As duiscussed. These simulations did not run its course . The shear rate is extracted from the time steps of upto 0.15 seconds and the plots are drawn. The shear rate with high viscous slurry is high and will produce high dispersion. The maximum value of shear rate is nearly 6.5e5 s-1. The value of maximum shear rate was 6.8e4 s-1 with rotational speed of 120 rpm. So, the dispersion rate in case of 600 rpm is greater and hence the electrical conductivity of the polymer made by the extruders with rotational speed of 600 rpm will be greater than the electrodes made from 120 rpm speed
  15. The shear stress is directly proportional to the viscosity and the viscosity of the slurry is changing with time. So, even though the shear rate was high with coarse mesh and low viscous fluid. The viscosity of the fluid during the process was decreasing and that is why the shear stress is less as compared to other cases. To have direct comparison between the cases with rotational speed of 120 rpm, a plot is drawn at different percentile of the data. The decrease in the particle size of the CB will be maximum in case with fine mesh and coarse mesh at high viscous simulations. The maximum shear stress at 90th percentile of data is 5.5e5 pascal with case of fine and coarse mesh with high viscosity. There is a large difference between the shear stress of coarse mesh and fine mesh with low visocisty.
  16. The high shear stress is producing in high viscous slurries. The breakage of CB particles is maxmum in case with high viscous slurries. The maximum shear stress is achieved in case of viscous slurry and it is around 1.75e6 Pa which is 15% more than the shear stress with low viscous slurries in case of 600. The shear stress with 600 rpm is 104 percent more as compared to the cases with 120 rpm. It means that the particle size of the CB will be 2 times small as compared with the case of 120 rpm