MANIPULATING SMALL DROPLETS IN MICROCHANNELS WITH COMPLEX FLUIDS - - PowerPoint PPT Presentation

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MANIPULATING SMALL DROPLETS IN MICROCHANNELS WITH COMPLEX FLUIDS - - PowerPoint PPT Presentation

JUNE 5, 2019 MANIPULATING SMALL DROPLETS IN MICROCHANNELS WITH COMPLEX FLUIDS Blue Waters Symposium 2019 MICHAEL P . HOWARD The University of Texas at Austin I use Blue Waters to engineer complex fluids and soft materials at the nanoscale.


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SLIDE 1

MICHAEL P . HOWARD The University of Texas at Austin JUNE 5, 2019

MANIPULATING SMALL DROPLETS IN MICROCHANNELS WITH COMPLEX FLUIDS

Blue Waters Symposium 2019 I use Blue Waters to engineer complex fluids and soft materials at the nanoscale.

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SLIDE 2

Manipulating particles in microchannels

2 Di Carlo et al., PNAS 104, 18892 (2007).

How can we systematically engineer these processes?

  • filtration
  • fractionation
  • cell sorting
  • il recovery
  • water treatment
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SLIDE 3

Complex fluids

3

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SLIDE 4

4

100

η / ηs (a) κ=0

4×100

ρ=0.025 ρ=0.050 ρ=0.100

10 10-5 10-4 10-3 10-2

γ .

microscopic macroscopic

  • A. Nikoubashman and M.P. Howard. Macromolecules 50, 8279 (2017).
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SLIDE 5

Cross-stream migration

5

Addition of a viscoelastic component induces migration in Poiseuille flow flow What happens when the particles become “small”?

D'Avino et al., Lab Chip 12, 1638 (2012). ß distance down channel

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SLIDE 6

Cross-stream migration at the nanoscale

6 Prohm et al., Eur. Phys. J. E 35, 80 (2012).

Brownian motion Comparable length scales

Kim et al., Lab Chip 12, 2807 (2012).

PEO Re ~ 300 nm 〈Fx〉 > 0 〈Fx〉 < 0 〈Fx〉 = 0 Average force on particles〈Fx〉gives average direction of movement

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SLIDE 7

Mesoscale modeling

7

time scale fs ns μs ms s nm ps μm mm Atomistic models Constitutive models resolution speed Coarse-grained & mesoscale models length scale

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SLIDE 8

Coarse-grained models

8

bond stretch dispersion forces, excluded volume, electrostatics angle bend dihedral twist

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SLIDE 9

9

What happens if the particles are droplets or cells that deform?

  • A. Nikoubashman et al., J. Chem. Phys. 140 094903 (2014).

M.P. Howard et al., J. Chem. Phys. 142, 224908 (2015).

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SLIDE 10

Droplet migration

10

F = FC + FR + FD

repulsive force random force drag force

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SLIDE 11

Why Blue Waters

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Large parametric design space 4 polymers x 3 polymer concentrations x 5 flow rates x 5 replicas Large coarse-grained model 384,000 particles = 4 GPUs for 48 hours (HOOMD-blue) Blue Waters is the only system available to us with the GPU resources needed!

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SLIDE 12

Droplet in a neat solvent is different from a rigid particle

12 M.P. Howard et al., Soft Matter 15, 3168 (2019).

2 4 6

probability

no polymer

fx [ε/d]

(a)

0.001 0.002 0.003 0.004 0.005

0.0 0.2 0.4 0.6 0.8 1.0

|zc|/H

inward

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SLIDE 13

Droplet shape depends on the local flow

13 0.0 0.2 0.4 0.6

⟨D⟩

fx [ε/d]

(a)

0.001 0.002 0.003 0.004 0.005

L B

D = L − B L + B

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M.P. Howard et al., Soft Matter 15, 3168 (2019).

Ca

0.0 0.1 0.2 0.3 20 30 40

⟨θ⟩ [◦] (b)

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SLIDE 14

Flow and droplet position depend on polymer concentration

14

Solution is non-Newtonian for higher polymer concentrations. Droplet moves inward with increasing polymer concentration.

0.0 0.2 0.4 0.6 0.8 1.0

|zc|/H

2 4 6 8

probability

no polymer φp = 2.5% φp = 5.0% φp = 7.5% φp = 10.0% 0.5 0.7 0.9 1 2

wall center

M.P. Howard et al., Soft Matter 15, 3168 (2019).

. −1.0 −0.5 0.0 0.5 1.0

z/H

0.0 0.5 1.0 1.5

ux [d/τ] (b)

no polymer φp = 2.5% φp = 5.0% φp = 7.5% φp = 10.0%

τ ∼ ✓∂ux ∂z ◆n

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SLIDE 15

Conclusions

15

All software has been released open source on GitHub: mphoward/azplugins Polymer solutions can be used to manipulate droplets in microchannels. Droplet position and shape depend on the polymer solution and flow.

M.P. Howard et al., Soft Matter 15, 3168 (2019).

Important for applications like membrane filtration or cell sorting.