MSE 327. Homework3 on diffusion. Kostya Kornev 10/16/2014.

Name and ID_______________________

Due to 10/31/14 at lecture.

1. A spherical hollow particle is made of two shells of thickness H1 and H2. These
shells are firmly attached to each other with no gap in between. The internal
radius of the particle is R.

H2

H1

2R

a) Find an effective radial diffusion coefficient Deff of this spherical particle assuming
that the diffusion coefficient of the internal layer is D1 and external layer is D2. Use
a steady state diffusion equation with the boundary conditions

n(R) = N, n(R+H1+H2) =0 (1)

The coefficient Deff is introduced as

Deff = - Q (H1+H2)/[4NR(R+H1+H2)],

where Q = 4R2J(R), and J is the flux defined by the Fick’s law.

(10 points)

ANSWER.

In the spherical coordinates the steady state diffusion equation is written as

(D1,2 /r2) {d/dr[r2dn1,2 /dr]} = 0 or , d/dr[r2dn1,2 /dr]=0

where n1 is the concentration in the internal layer, and n2 is the concentration in the
external layer.
The boundary conditions (1) are rewritten as

n1 (R) = N, n2(R+H1+H2) =0. (2)

At the interface we have two more boundary conditions

n1 (R+H1) = n2(R+H1) , and D1 dn1 /dr = D2 dn2 /dr at r = (R+H1) (3)

Writing the solutions to diffusion equations in the form

n1,2 = A1,2/r + B1,2 , (4)

and substituting these equations into the boundary conditions, we find

A2 = A1 (D1/D2),
B1 = N-A1/R
B2 = A1([R+H1]-1-R-1- (D1/D2) [R+H1]-1)+N
A1= - N/((D1/D2){ [R+H1+H2]-1-[R+H1]-1}+[R+H1]-1- R-1) =

N/((D1/D2){ H2[R+H1+H2]-1[R+H1]-1}+H1[R+H1]-1R-1) (5)

As follows from the second boundary condition, the fluxes in the internal and external
layers are the same. Hence the total discharge is equal to

Q = 4R2J(R) = 4A1 D1. (6)

We would like to express this total discharge as a discharge through an effective single
layer of thickness (H1+H2), see HW2:

Q = 4r2 J = - 4r2 Deffdn/dr = -4r2 Deff NAR/r2 = 4Deff R(R+H1+H2)N[H1+H2]-1 .(7)

Therefore, substituting eq.(6) into eq.(7), the effective diffusion coefficient is written as

Deff = Q[H1+H2]/ (4R(R+H1+H2)N) = A1 D1 [H1+H2]/ (R(R+H1+H2)N) . (8)

Using eq.(5), we obtain

Deff =
D1 D2 [H1+H2](R(R+H1+H2))-1 (D1{ H2[R+H1+H2]-1[R+H1]-1}+ D2H1[R+H1]-1R-1)-1
(9)

a) Analyze the ratio Deff/D1 as a function of Deff/D1=f(D1/D2, H1/R, H2/R). In order to

make any conclusions, use Matlab or Maple to build the plots Deff/D1=f(D1/D2) at
three different values H1/R = H2/R = 1/3, 1/5, 1/10, and the plots Deff/D1=f(H1/R) at
D1/D2 = 2 and three different ratios H2/R = 1/3, 1/5, 1/10.
 Which ratio is the most influential on Deff/D1?
(10 points)

ANSWER
We rewrite eq.(9) in the form
Deff/D1=

[H1/R+H2/R]((1+H1/R +H2/R))-1 *
((D1/ D2){(H2/R)[1+H1/R+H2/R]-1[1+H1/R]-1}+ (H1/R)[1+H1/R]-1)-1

1.8 Deff / D1 As shown in the figure, the

decreasing functions correspond
1.6 to the Deff/D1 dependence on
D1/D2 with H1/R = H2/R = 1/3
(black), 1/5 (navy), 1/10 (red);
1.4 the increasing functions
correspond to the Deff/D1
1.2 dependences on H1/R with
D1/D2 =2 and H2/R = 1/3
(black), 1/5 (navy), 1/10 (red).
1 One can see that the effective
diffusion coefficient much
0.8 stronger depends on the
thickness ratio.
0.6

0 0.5 1 1.5 2
 2. A cylindrical hollow particle is made of two shells of thickness H1 and H2. These
shells are firmly attached to each other with no gap in between. The internal
radius of the particle is R.

a) Find an effective radial diffusion coefficient Deff of this cylindrical particle

assuming that the diffusion coefficient of the internal layer is D1 and external
layer is D2. Use a steady state diffusion equation with the boundary
conditions

n(R) = N, n(R+H1+H2) =0

The coefficient Deff is introduced as

Deff = - Q ln[R/(R+H1+H2)]/[2N],

where Q = 2RJ(R), and J is the flux defined by the Fick’s law.

(10 points)

b) Analyze the ratio Deff/D1 as a function of Deff/D1=f(D1/D2, H1/R, H2/R). In

order to make any conclusions, use Matlab or Maple to build the plots
Deff/D1=f(D1/D2) at three different values H1/R = H2/R = 1/3, 1/5, 1/10, and
the plots Deff/D1=f(H1/R) at D1/D2 = 2 and three different ratios H2/R = 1/3,
1/5, 1/10.
Which ratio is the most influential on Deff/D1? Compare with the same ratio
for a spherical particle from #1.
(10 points)

ANSWER:
Following the same procedure, we seek the solutions of diffusion equations in the form

n1,2 = A1,2 lnr + B1,2 , (10)

and substituting these equations into the boundary conditions, we find

A2 = A1 (D1/D2),
B1 = N-A1lnR
B2 = -A1 (D1/D2)ln [R+H2+H1]
A1= N D2 (D1ln{ [R+H1] [R+H1+H2]-1}+ D2 ln{R[R+H1]-1})-1 (11)

As follows from the second boundary condition, the fluxes in the internal and external
layers are the same. Hence the total discharge is equal to
Q = 2RJ(R) = -2A1 D1. (12)

We would like to express this total discharge as a discharge through an effective single
layer of thickness (H1+H2), see HW2:

Q = 2r J = - 2r Deffdn/dr = - 2 DeffA = 2 DeffN/ln(1+H1/R+H2/R) (13)

Substituting Eq.(11) into (12), one obtains

Q = 2RJ(R) = -2 D1 N D2 (D1ln{ [R+H1] [R+H1+H2]-1}+ D2 ln{R[R+H1]-1})-1 (14)

Comparison of Eq.(14) with Eq.(13) gives

Deff = - D1D2 ln(1+H1/R+H2/R) (D1ln{ [R+H1] [R+H1+H2]-1}+ D2 ln{R[R+H1]-1})-1

(15)

c) Analyze the ratio Deff/D1 as a function of Deff/D1=f(D1/D2, H1/R, H2/R). In

order to make any conclusions, use Matlab or Maple to build the plots
Deff/D1=f(D1/D2) at three different values H1/R = H2/R = 1/3, 1/5, 1/10, and
the plots Deff/D1=f(H1/R) at D1/D2 = 2 and three different ratios H2/R = 1/3,
1/5, 1/10.
Which ratio is the most influential on Deff/D1? Compare with the same ratio
for a spherical particle from #1.
(10 points)

ANSWER:

We rewrite Eq.(15) in the form

Deff /D1= ln(1+H1/R+H2/R) (D1/D2ln{ [1+H1/R] -1 [1+H1/R+H2/R] }+ ln{1+H1/R})-1

As shown in the figure, the

decreasing functions
Deff / D1
correspond to the Deff/D1
1.8 dependence on D1/D2 with
H1/R = H2/R = 1/3 (black),
1.6 1/5 (navy), 1/10 (red); the
increasing functions
correspond to the Deff/D1
1.4 dependences on H1/R with
D1/D2 =2 and H2/R = 1/3
1.2 (black), 1/5 (navy), 1/10
(red). One can see that the
1 effective diffusion coefficient
much stronger depends on
the thickness ratio. The
0.8

0.6

0 0.5 1 1.5 2
x
 effective diffusion coefficients of spherical and cylindrical shells are very close to
each other.

3. A hollow fiber of length L, thickness h, and internal radius R is filled with drug
solution of concentration N and its ends are sealed. Then the fiber is immersed in
a container where water circulates continuously and the leaking drug is constantly
removed. Assume that the drug diffuses very slowly and its leakage can be
described by a steady state diffusion.

a) Find the relative change of drug concentration, n/N , in the sealed fiber as a
function of the dimensionless time tD/R2 , where D is the diffusion coefficient.
(10 points)

Hint: Use the mass balance equation for the drug in the following form R2L dN/dt = -
2RL J, where J is the flux defined by the Fick’s law.

Answer: The steady state diffusion equation for the salt concentration n(r) is written as

(D/r) d/dr (r dn/dr) =0. Which can be simplified to d/dr (rdn/dr) =0. According to the
problem formulation, the boundary conditions for this problem are:

n(R) = N, (1)
n( )=0 (2)

This problem has the first integral

n = N(Aln(R/r) +B).

Substituting this solution into the boundary conditions, we have

B = 1, A ln(R/(R+h)) + 1 = 0, or A = -1/ ln(R/(R+h))

The total flux is written as

Q = 2r J = -2r Ddn/dr = 2r NAD/r = 2DN/ ln((R+h)/R) (7)

Using the balance equation in the form R2L dN/dt = - 2RL J, where J is the flux
defined by the Fick’s law. we have

R2dN/dt = - 2RJ = - 2DN/ ln((R+h)/R)

Integrating this equation, we obtain

N = N(0) exp [-t/]

Where N(0) is the initial salt concentration and a characteristic time  is introduced as

 = R2 ln((R+h)/R)/(2D), or

N = N(0) exp [-2D t/ {R2 ln(1+h/R)}] = N(0) exp [-2T/ln(1+h/R)]

Where

T = D t/ R2
a) Plot this dependence for different h/R ratios. Assuming that the fiber
wall cannot be made thicker than R/10, find an appropriate material
(i.e. its D-coefficient and the fiber radius R) which would provide the
main drug release after 1 hour.

1.0
N/N(0)
0.9

0.8

0.7

0.6

0.5

0.4

0.3

0.2

0.1

0.0
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
T

The ratio N/N(0) as a function of T and h/R: black – h/R = 0.1, red – h/R = 0.5, navy –
h/R = 0.8

If h = R/10, we obtain for the argument 2D t/ {R2 ln(1+1/10)}]= 20.98D t/ R2. Since the
main release of drugs take place after the N/N(0) ~ 0.9 (see graphs). Therefore we
assume 20.98D t/ R2 = -ln0.9 =0.1. From this equation one can infer that the required
material has to have D/ R2 =0.1/(20.983600) =1.310-6 1/s.