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May 09, 2018

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Lattice Boltzmann basics

© All Rights Reserved

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Lattice Boltzmann basics

© All Rights Reserved

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You are on page 1of 48

to the

lattice Boltzmann method for

multiphase flows with interfacially

active components

Roar Skartlien

2012

Multiphase flow –

a big research area

gas/liquid/solids/particles combinations

– Sedimentary flow (particles, turbulence, dense beds..)

– Bubbles in liquid (breaking waves, jets...)

• Industry

– Emulsions (oil/water droplets)

– Boiling (steam/water), oil/water/gas

– Solid particles or fibers in liquid

MD < DPD < Lattice Boltzmann < Navier Stokes < Large scale models

Some multiphase flows

Lattice Boltzmann method (LBM):

what is it?

• Solves the underlying Boltzmann equation instead of the

Navier Stokes equations

(PDF) of the fluid particles (function of position and particle velocities)

(same info as solving NS)

Why LBM, then?

• Easy to implement your own code

• Numerically efficient; suits 3D (important)

implement interfacially/surface active

components; surfactant

Some applications

– Emulsions in shear flow

oil

water

Rayleigh-Taylor instability

Initially: water over oil

Boltzmann’s equation (one for each fluid):

• 7 dimensional space (3 space, 3 velocity, 1 time)!! Can handle, if clever!

• F: forces between fluids over the interfaces

(a symmetric Gaussian type of PDF)

Moments of f give the

”fluid dynamical quantities”:

Phase space (v,x) for 1 space dimension X

PDF shown as contours:

V

Brute force discretization:

too many sampling points!

X

Much better and sufficient: Coarse sampling

in V (~10), fine in X (up to ~millions in 3D)

PDF-populations ai

Associated to the

velocity points Vi:

V1 a1

V2

a2

V3

a3 ....

Clever coupling between velocity

sampling and grid point separation:

velocity (Vi), that fits the grid structure:

• Populations move exactly between neighbor grid points, over

one timestep (also diagonally between nodes):

No interpolation necessary

Vi

move > collide/”mix” all ai > move > collide…

The lattice Boltzmann equation: move > collide > move > collide…

1. The populations fa are updated by the collision term (right hand side)

2. Populations move to neighboring grid nodes (left hand side, 1.st term)

3. Collision step is repeated on all the grid nodes

Maxwell distribution,

expanded for

numerical reasons

3D and LBM

many CPU’s simultaneously

• Simple algortihm:

Simplicity comes at a cost:

velocities

• May then be numerically unstable if “pushed”: find flow regime

where it works!

• May have mass diffusion over interfaces in some cases!

be sound waves)– compressibility can be made small

by gentle “driving”

overcome some of these restrictions

Interfacial chemistry in

fluid dynamics

• Molecules with an affinity to the interface determine

– Interfacial stress variations (along the interface)

– Interfacial stability (hydrodynamic)

– Coalescence and breakup rates of droplets

– Droplet sizes

– Solution: Include surfactant as a continuum (fluid) that interacts with the two

ordinary fluids (oil and water usually)

approximations involved

– Can’t handle / impractical to construct, continuum models of complex molecules

e.g.Span 80

Simple LBM

surfactant force model Coarse graining

oil Forces with

adjustable strengths

water Surfactant density

rotation

Dumbbell model: a very coarse grained

amphiphile (representing e.g. Span or Tween)

A “dipole” vector field, with a mass density:

“vectorial fluid” hydrophobic

Vector represents average direction over

computational grid cell

hydrophilic

Force strengths control

– Solubility in either fluid

– Interfacial tension

– Diffusivity in solvents and on interface

15-Oct-13 17

DPD vs. LBM

DPD: coarse grained

molecules LBM: continua

surfactant density

OIL OIL

WATER WATER

WATER OIL

• DPD: Dissipative Particle Dynamics – coarse grained, but still molecular detail

• LBM: all species are treated as CONTINUA

• SAME TYPE of forces act in both DPD and LBM

• Bottom line: This is equivalent, but less details emerge in the LBM results

Droplet coalescence

• Surfactant can oppose coalescence between droplets

dominate, thin films between droplets

effect, thicker films between droplets

dynamic flow, with the Marangoni effect

Marangoni effects

Lowered interfacial tension

where there is more surfactant

on the interface Diverging flow induced by force:

Force

Did you observe the effect of a soap droplet on water (while doing the dishes)??

-Buoyant droplet settling on plane interface

-Suppressed film drainage, by the Marangoni effect

No S

With

Lower surfactant concentration here. time

15-Oct-13 21

Interfacial force opposing film draining

Draining

Force

Droplet coalescence in

large 3D simulations; 256^3. water-in-oil type

t=1000 t=10000

Interfacial area with time

Increased surfactant activity

(stronger surfactant forces):

time (after coalescence begins)

Rheology with emulsions

in a shear flow

•What influences the emulsion viscosity?

depends on the flow conditions and the

accompanying droplet shapes

•Influence of surfactant

Emulsion in shear with surfactant:

we observe a stabilizing Marangoni effect here as well (2D simulation)

applied shear

No S

time

W/S

15-Oct-13 26

Large 3D simulations

Less coalescence, more breakup,

more and smaller droplets

of about 0.5

Effective viscosities & interfacial area

(as function of droplet volume fraction)

no surf w/surf

w/surf

no surf

•Surfactant: higher interfacial area, but still lower total interfacial stress! (at high volfract.)

•Mainly due to a reduced IFT

•More sensitive at higher volume fraction due to to preferrential concentration of

surfactant on interface. More efficient reduction of interfacial stress.

•Tends to bi-continuous domains (no droplets) at volume fraction 0.5

Preferrential concentration of surfactant: reduced interfacial shear

stress at high volume fraction (here: bi-continuous morphology)

Mobility on interfaces:

Surfactant (yellow)

accumulates near

higher curvature interfacial

areas (red),

and opposes high interfacial

shear stresses there

View in flow direction

Stronger net effect in bi-

continuous morphology, so

shear viscosity is reduced

more

Some final remarks on the LBM

• Very flexible modelling tool to study multiphase flow

– Computationally FAST

– Any wall geometry

LBM is a research tool, more than an engineering tool (but try for yourself)

– Rheology

– Emulsions

– Turbulence, etc

– A suitable micro-macro link = ”meso scale model”

– Offers a host of research possibilities

– Not suited to model effects of complex molecules

Thank you for your attention!

Acknowledgements:

– E. Sollum (IFE, NILU)

– P. Meakin (IFE, UiO, INL)

– K. Furtado (IFE, MetOffice)

– A. Akselsen (NTNU)

– T. Kjeldby (NTNU)

– F. Fakharian (IFE MSc student)

– Johan Sjöblom

– Brian Grimes

– Galina Rodionova

Scandinavia A/S, VetcoGray Scandinavia A/S, SPTgroup AS, FMC

technologies, CD-adapco, and Shell Technology Norway AS

END

For more details on the LBM without surfactant:

•Quick intro for thos who want to implement ”now”:

”Lattice Boltzmann Modelling” Sukop and Thorne

•More broad, for applications ”The lattice Boltzmann Method”, S. Succi

• -/+ Simple algorithms

•- May not be robust (numelical stability issues), so limited parameter ranges

• + Easy to get started with your own code

•+ Complex geometry easy to implement

(force version, phase field version, multiple relaxation time version),

but all built on top of the Boltzmann equation

Exact relaxation

Intermadiate relaxation

in general:

Velocity moments:

now sums over velocity vectors

What about the forces, F ?

species direction

strengths G

depends on sign of G

What can the LBM do?

• Multiphase flow:

• Other:

– Liquid – vapor

– Thermal convection

Parameters for this 3D case

• Viscosity ratio 1 and 0.3 (water in oil type)

• Viscosity ratio = 1.0: isolates contributions from interfacial stress

• Number of droplets ~ 100-500: sufficient number

– 10 000 time steps: 1-2 days on 8-12 processor workstation (quite fast!)

– 4.2 million gridpoints, 256 (streamwise) x 128 (vertical) x 128 (spanwise)

– Domain size ~ 1 cm (2.8 x 1.4 x 1.4 cm)

– Drop or filament size ~ 1 mm

– Shear rate ~ 10 (1/s) (Delta U = 0.1 m/s over 1 cm)

– Interf. Tens. ~ 20 mN/m

But complicated fluctuating velocity field in the emulsion

Parameters 3D, shear

• Run over 10^4 timesteps (~1 sec. with scaling above), obtaining a strain =

15.6. Large deformations

breakup.

Complicated velocity field in the emulsion, may even have significant

Reynolds stress

Capillary number, deformation, tilt angles as

function of time (viscosity ratio 1.0, w/surfact.)

•Average capillary

number increases

(due to coalescence :

larger drops)

deformation

•Droplets gradually

align with the flow, so

effective viscosity

should decrease

Effective shear viscosity – with surfactant

Increasing volume fraction

Total shear

viscosity

Viscous

stress

Interfacial

stress

Surfactant contribution

•Unity viscosity ratio: interfacial stress is the main contributor

•Time variation explained by gradual tilting and stretching of droplets (interfaces)

•Late times: more aligned droplets, smaller effective viscosity

Strong vs weak surfactant forces, late times

with ”strong surfactant”,

but only at higher volume

fractions!

Experimental, polymer blends

Some parameters

coalsescence, 2D

• N x N=128 x 128

• Length X [m]= 0.128

• Spatial resolution [m]= 0.001

• Time resolution [s]= 0.1

• Viscosity phase 0 [m^2/s]= 1.66667e-006 (close to water)

• Viscosity phase 1 [m^2/s]= 1.66667e-006

• Coupling parameters : g00, g11, g01, g0s, g1s, gss:

0.0 0.0 1.2 0.026 -0.026 -0.053

Setup for large 3D simulation

• Viscosity ratio = 0.3 (highest achievable for reliable results with current

method)

• 256 x 256 x 256 = gridpoints, 10000 timesteps, 2-3 days simulation time,

30 Gb data

• MPI parallel processing

• Volfrac = 0.25

• Different surfactant concentrations

Some other results:

properties of dynamic interfaces

for the buoyant jet, and for droplet

detachment (dripping faucet),

presented at ICMF 2010, Florida

(presented by G. Zarruk)

novelty of our work, and good

publicity for FACE!

Sollum, Roar Skartlien, Kalli

Furtado, Paul Meakin, and

summer student in 2009.

15-Oct-13 48

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