Basic Boltzmann Gas

Concepts
 Kinetic Theory
• Complete set of position (x) and
momentum (p) coordinates for all
individual particles gives exact dynamical
state of system
• Together with classical mechanics, allows
exact prediction of future states
• However, this level of description is
essentially not possible
 Statistical Mechanics
• Represent system by ensemble of many
copies
• Describe by distribution function
f(N)(xN,pN,t); N is number of particles
• Changes in f(N)(xN,pN,t) with time given by
Liouville equation (6N variables)
• Usually interested in low order distribution
functions (N = 1, 2)
 First Order Distribution Function

• f(1)(x,p,t) gives probability of finding a particular

molecule with given position and momentum;
positions and momenta of remaining N-1
molecules unspecified
• No experiment can distinguish between
molecules, so the choice of which molecule
doesn’t matter
• ‘Single particle’ distribution function
• f(1) adequate for describing all gas properties
that don’t depend on relative positions of
molecules (dilute gas with long mfp)
• External force Xi (small relative to
intermolecular forces)
• For each component i there is an fi(1)(x,pi,t)
such that probable number of type i
molecules with position coordinates in the
range x ±dx and momentum coordinates
pi ±dpi is fi(1)(x,pi,t) dxdpi
 Expected Evolution w/o Collisions
(streaming)
• If no collisions, then at time t + dt, the new
positions of molecules starting at x are [x
+ (pi/mi)dt]
• New momenta are pi = pi +Xidt
• Thus,

 pi  
fi (1)
 x  dt , pi  X i dt , t  dt dxdpi  f i (1) x, pi , t dxdpi
 
 mi  
 Collisions
• But there are collisions that result in some phase
points starting at (x,pi) not arriving at (x + pi/mi
dt, pi+Xi dt) and some not starting at (x,pi)
arriving there too
• Set Gij(-)dxdpidt equal to the number of
molecules that do not arrive in the expected
portion of phase space due to collisions with
type j particles during time dt
• Similarly, set Gij(+)dxdpidt equal to the number of
molecules that start somewhere other than (x,
pi) and arrive in the portion of phase space due
to collisions with type j particles during time dt
 Account for collisions

 pi  
fi (1)
 x  dt , pi  X i dt , t  dt dxdpi  f i (1) x, pi , t dxdpi
 
  mi  

 pi  
fi (1)
 r  dt , pi  X i dt , t  dt drdpi
 
 mi  
 fi (1)
r, pi , t drdpi   Gij   Gij  drdpi dt
j
Taylor Series Expansion of lhs

f x0 
(k )
f ( x)    x  x0 
k

k 0 k!
  pi  
fi (1)
 r  dt , p i  Xi dt , t  dt drdp i
 
 mi  

 (1)  f i (1)   f i (1)   f i (1)  

 i
f r , p , t  
1
 pi  dt   X i  dt   dt  drdpi
r  pi   t 
i
 mi   
 Boltzmann Equation
 (1) 1  f i (1)   f i (1)   f i (1)  
 f i r, pi , t    pi  dt   X i  dt   dt  drdpi 
 mi  r   pi   t  
 
 f i (1) r, pi , t drdpi   Gij   Gij  drdpi dt
j

1  f i (1)   f i (1)   f i (1) 

 pi     X i     
mi  r   pi   t 

  Gij   Gij  
j

Hirschfelder, Curtiss, and Bird, Time rate of

1954. Molecular Theory of Gases
and Liquids, John Wiley and Sons, change of f
Inc. New York.
 Lattice Boltzmann Model
Unit Vectors ea

e1
e2
e6
e3

e5
e4

FHP D2Q9
 LBM Basics I
D2Q9
6 2 5
e6 e2 e5

3 e3
0 e1
1

e4
e7 e8
7 4 8 Histogram view of the
distribution function, f.
f2

Lattice Unit, lu f6 f5

f3 f0 f1
f7 f8

Notes:
• Based on statistical mechanics f4
f
and kinetic theory. f4

• Solute and buoyancy will be

f1 f2
f3
f5 f6 f7 f8
covered in later slides. 1 2 3 4 5 6 7 8 a
 Lattice Boltzmann Model
Unit Vectors ea
f2 f1
Direction-specific particle
e1 densities fa
e2
f6 f7 (rest)
e6 f3 f4

e3 f5

e5
e4
Macroscopic flows

   fa fe a a
u a
a

Density
Velocity
Single Relaxation Time BGK (Bhatnagar-
Gross-Krook) Approximation
f x  e t , t  1  f x, t  
 f x, t   f x, t  a a
eq

a a a

Streaming Collision (i.e., relaxation towards local equilibrium)

Collision and streaming steps

must be separated if solid
boundaries present (bounce
back boundary is a separate
collision)

1  d 0 D D ( D  2) D 2
f aeq( 1, 2,...,6 ) x    ( x )   2 ea  u  e e
a a   uu  u 
 
4 2
b c b 2 c b 2 bc

 u2 
f eq
a ( 7 ) x    (x) d 0  2 
 c 
•  relaxation time • D dimension of space
• d0 fraction of rest particles • c maximum speed on lattice (1 lu
• b number of unit velocity directions /time step)
 D2Q9 feq

 e
f a x   wa  (x) 1  3 2 
eq  u 9 e  u 2


3 u 2

2 
a a
4
 c 2 c 2c 

wa are 4/9 for the rest particles (a = 0), 1/9 for a = 1, 2, 3, 4, and 1/36 for a = 5, 6, 7, 8.