MSE 327. Homework2 on diffusion. Kostya Kornev 9/16/2014.

Name and ID_______________________

Due to 9/26/14 at lecture.

10 bonus points if you turn the HW2 on 9/22/14

1. The wound cover of thickness h is saturated with a biofluid and a gel with the
drugs is applied to the upper surface. The concentration of drugs in the gel is N.

a) Formulate a mathematical model describing the drug penetration kinetics

assuming that the drugs can invade the wound cover only by diffusion. The
model should consist of a governing equation, boundary and initial
conditions. (5 points)
x

h
xt

x=0

b) Write down a general form of the solution in dimensionless variables as

discussed during the Lecture. (5 points)

c) Assume that you have detected the time T when the drug concentration
reaches the value Nx at a slice situated at the position x = xt measured from
the side where you apply the drugs, x = 0. If you twice increase the thickness
of wound cover, H= 2h, and measure the concentration at the position, x =
2xt, would you observe the same concentration Nx at the time moment T?
(5 points)

d) If the answer is “No”, how long should you wait to observe the same
concentration Nx at the position, x = 2xt,?

d1) t = 2T
d2) t = 3T
d3) t= 4 T
d4) never be the same
(10 points)
Answer. According to the proposed diffusion mechanism, the drugs penetrate the
saturated wound cover not disturbing the carrier fluid since the gel does not penetrate into
the cover, only drugs do. The governing equation for the drug concentration n(x,y,z,t) is
therefore written as the mass balance equation

n/t+J =0, (1)

augmented by the Fick’s law for the flux J,

J = -Dn, (2)

where D is the diffusion coefficient. Substituting the second equation into the first, one
obtains

n/t -Dn =0. (3)

The concentration of drugs at the surface x =0 is constant, N, and concentration of drugs

outside the wound cover is zero. Therefore, the y and z dependence should not enter the
problem. In other words, we state that the in-plane concentration of drugs at any slice x is
the same, n(x,y,z,t) = n(x,t)! Therefore, we can simplify equation (3) as

n/t -D2n/x2 =0. (4)

Since equation 4 is the second order partial differential equation with respect to x, it
requires two boundary conditions:

n(0,t) = N, n(h,t) =0. (5)

Eq.(4) is the first order partial differential equation with respect to time t, hence it
requires one initial condition. Since the wound cover is free of drugs at the initial moment
of time, we state

n(x,0) =0. (6)

Summary: The mathematical model of drug diffusion through the wound cover consists
of eq.(4) (governing equation) and eqs.(5) (boundary conditions) and eq.(6) as the initial
condition.

b)
Answer. According to the proposed mathematical model, concentration n should depend
on the following parameters n = n(x,t,D,h,N). Since the diffusion problem is linear, we
immediately conclude that the dependence on N is as follows

n = Nf(x,t,D,h,N),
where f is a dimensionless function. Introducing new dimensionless coordinate and time
as

X = x/h, and T = tD/h2, we rewrite the problem (4)-(6) as (SEE LECTURE 2)

f/t -2f/X2 =0. (7)

f(0,T)=1, f(1,T) =0 (8)
f(X,0)=0 (9)

and the general form of the solution is represented as

n=Nf(x/h, tD/h2) (10)

c)
Answer. According to eq.(10) , we have at time T and position xt

Nx=Nf(xt /h, TD/h2)

Twice increasing the thickness and moving the observation point to 2xt , we will have

n=Nf(2xt /2h, TD/(4h2) ), (11)

which cannot be equal to Nx .

a) If the answer is “No”, how long should you wait to observe the same
concentration Nx at the position, x = 2xt,?

d1) t = 2T
d2) t = 3T
d3) t= 4 T
d4) never be the same
(10 points)

Answer. According to eq.(11) , to have the same concentration Nx we have to put t =4T.

2) A membrane of the 1 cm2 area and 1 m thickness separates two tubes. One tube
contains proteins at the concentration N =1018 m-3. Another tube is filled with the
same buffer, but it is free of proteins. Find the number (NOT CONCENTRATION!)
of proteins coming to the tube without proteins per unit time assuming that the
diffusion coefficient of proteins through membrane is D = 10-5 cm2/s. Assume that the
protein concentration changes slowly and very little in the feeding tube. Consider
only steady state diffusion (10 points)
Answer. Since the problem is time independent, we need to use the following equation
Dd2n/dx2 =0. (12)

with the boundary conditions n(0) = N, and n(h)=0, where h is the membrane thickness,
see schematic above for the drug release problem. This equation can be integrated twice
to find n = ax+b. Using the boundary conditions, we fix the constants as b = N and a =-
N/h. The flux is J = -Ddn/dx = DN/h. And the number of proteins coming to the buffer
through the area A is

JA = DNA/h = 10-9 1018 10-4/10-6 = 1011 s-1.

3) Some chemicals enter a layer of thickness h . The concentration of chemicals at

the entrance x=0 is measured and equal to N. The chemicals take part in a
chemical reaction that may consume or produce the same chemicals at the rate q.
The bottom of this layer is kept at zero concentration

a) Write down a math model for a steady state process and find its solution in
dimensionless variables as discussed during the Lecture. (5 points)

Answer: As explained during lecture, the governing equation reads Dd2n/dx2 = q. (13)
With the B.C.: n(0)=N, n(h)=0.
Integrating eq. (13) twice, we have

n=qx2/(2D) +Cx+C’. Using the B.C., we obtain N=C’ and 0=qh2/(2D)+Ch+

N, hence C=-([qh2/2D]+N)/h. Thus, the solution takes on the form

n = qx2/(2D)-(qh2/2D)+ N)x/h + N = N([qh2/2DN](x/h)2-

([qh2/2DN]+1)(x/h)+1) =N((x/h)2-(+1)(x/h)+1) where  =qh2/(2DN)

b) Using Matlab, plot your solution n/N versus x/h as a function of parameter
 =qL2/(DN) where D is the diffusion coefficient. Analyze your graphs. As a
reference, consider the case of pure diffusion without chem reaction, i.e. 
=0. In which case the concentration is greater, in the case of pure diffusion or
in the case of diffusion with chemical reaction q>0, or in the case q<0. Plot a
series of graphs and explain at which q you will have generation of new
chemicals inside the layer and in which case you will have consumption of
chemicals? (10 points)
 n/N 1.1

1.0

0.9

0.8

0.7

0.6

0.5

0.4

0.3

0.2

0.1

0.0
0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
-0.1
x/h

Figure 1. Dimensionless concentration as a function of x/h for different .

This graph shows that =0 gives you the straight line, linear diffusion.
Negative -parameters correspond to chemical reactions generating new
particles. In Figure, brown and navy curves correspond to =-1 and =-2,
respectively, i.e. the concentration inside the layer increases. Positive -
parameters describe chemical reactions with consumption of chemicals. Black
and light green curves in Figure correspond to =1 and =2. It is clear that the
negative values of concentration are non-physical, hence one concludes that
the chemicals are completely consumed inside the layer beyond point x/h=1/2.

c) Using Matlab, plot the dimensionless flux Jh/(DN) at the point x=0 as a function
of . Why the case  = -1 is important?
Plot the dimensionless flux Jh/(DN) at the pint x=h Is it possible to have zero flux
in this case? (10 points)

flux
6 Answer: Due to definition, the flus is
5
defined as J =-Ddn/dx = -(DN/h) (2(x/h)
- (+1)). Therefore, at x=0 we have J =
4
(DN/h) (+1) and at x=h we obtain J = -
3 (DN/h) (2 - (+1))=(DN/h) (1-).
2
Figure 2. Dimensionless flux as a function
1 of . Black line corresponds to the flus at
x=0 and red line corresponds to the flux at
-5 -4 -3 -2 -1 1 2 3 4
alpha
5
x=h
-1

-2
As shown below in Figure 2, the black line
corresponding to the flux at x=0 crosses
-3
the horizontal alpha-axis at =-1.
-4
Therefore, at this -parameter the flux is zeroed.Decreasing the -prameter below
=-1 will result in changing the direction of flux implying that the particles
produced inside the layer will leak through this boundary x=0.

The red line describes the flux at x=h. Again, when parameter  increases to = 1,
the flux would decrease to zero. According to the concentration distribution shown
in Fig. 1, if we further increase the  parameter, the position of the point where
concentration decreases to zero will move inside the layer. Therefore, one hase to
state that the flux will disappear as well. We thus conclude that the negative values
of flux at the boundary x=h cannot be realized, hence they are not physical.