Kinetics 2

DEPARTMENT OF MATERIAL SCIENCE AND
ENGINEERING.
AFRICAN UNIVERSITY OF SCIENCE AND TECHNOLOGY

[AUST].
KINETICS
PROJECT ONE
GROUP;
[1] NWAZOJIE CHUKWUDALU CLARE 40499
[2] OSAWEMWENZE AMEN LILIAN 40503
PROFESSOR: PROF. ACHENIE

14TH DECEMBER, 2016.
Problem 1: An isolated bar of a good electrical insulator contains a rapidly diffusing
unconstrained solute (i.e. component 1). Impose a constant thermal gradient along the bar, and
find an expression for its thermal conductivity when the system reaches a steady state. Assume
that no solute enters or leaves the ends of the bar. Express your results in terms of any of the Lij
coefficients.
Solution
Analysis of problem:
Electrical Insulated bar >> No electric flow

Unconstrained Solute>>
Constant thermal gradient - >> Change in heat along the bar is constant
Thermal conductivity, k
Closed system and isolated no interaction with the environment.
Gradient are fluxes and the primary flux for this problem is Heat flux.
Other fluxes = mass, electrical, magnetic (are not present)
This material under the conditions stated above, Fourier's law applies, the thermal conductivity K
depends on the direct coefficient LQQ, as well as on the direct and coupling coefficients associated with
the unconstrained component L1Q. In general, the empirical conductivity associated with a particular flux
depends on the constraints applied to other possible fluxes.
J = 1
J Q = J Q (FQ, Fq, Fm, F1, F2, F3,....................................... FN)
Since no other flux is present apart from heat and only one component is present, the equation
reduces to:
JQ = JQ (FQ, F1) .Primary driving forces
J1 = J1 (FQ, F1)..Secondary driving forces

JQ JQ
JQ = FQ + F1
FQ F1
J1 J1
J1 = FQ
FQ + F1
F1
JQ JQ
FQ F1
[ ] = [ J ][ ]
1 1 J1 1
FQ F1
JQ
Recall = LQQ (rate of change of flux with respect to driving force)
FQ
J1
= L1Q
FQ
1
[ ]=[ ][ ]
1 1 11 1
JQ = Q + 1 F1
J1 = 1 FQ + 11 F1
From Onsagers symmetry principle = , therefore L1Q = LQ1
JQ = FQ + 1 F1 ...... (1)
J1 = 1 FQ + 11 F1 ... (2)
At Steady State, the thermal and diffusion currents causes the unconstrained solute to be
redistributed thus a steady- state distribution has been reached therefore the diffusion of the
unconstrained solute i.e. Component 1 is completed therefore:
J1 = 0
From (2) we have; 1 FQ + 11 F1 = 0
Therefore, 1 FQ = - 11 F1
1 FQ
F1 = - (3)
11
Substitute (3) into (1)

1 FQ
JQ = FQ + 1 ( )
11
1 2 FQ
JQ = FQ - . (4)
11
JQ = - K .................................................... (5)
from Fourier emperical law,

1
FQ = - .................................................... (6)

substituting equation (5) and (6) into (4) gives;
1 2 1
- K = [ ][ ]
11
1 1 2
K = [ ] (7)
11
The derived expression is;

1 1 2
K = [ ]
11
This is the expression for the thermal conductivity of the electrical insulated Isolated bar as it
was forced into a steady-state distribution by the thermal flux assuming no solute(component 1)
enters or leaves the ends of the bar.
Problem 3
Consider the one-dimensional diffusion problem below in which diffusivity depends on time.
2
= () 2 0 < x L; 0<ttf

Initial Condition: c( x,0)= 0 () =
Boundary Conditions: (1) c( 0, t)= 0

(2) |(L,t) = 0 (Insulated at this end)

Data: 0 = 1; L = 2; tf = try different values
Solution
Pdepe in Matlab will be used to solve the diffusion problem to plot the appropriate graphs, the
equation will be re-arranged to get the necessary data needed for the plot.
Rearranging the equation;
2
= () ................... (1)
2
=

(()
)......... (2)
Comparing equation (2) with the general equation;

C = x-m (mf ) + s

C = 1; m = 0; f =() ; s=0

For the Boundary conditions, B. C
B.C No1: Left (l)
Having the general equation as
p + qf = 0

p + q(() )=0

For the first B.C we compare the coefficients of p and q
c( 0, t) = 0 .............. B.C 1
pl = Cl - Coe(-t)
Co = 1
pl = Cl - e(-t) and ql = 0
BC No2: Right (r)
Comparing the second B.C with the general equation (3);
| (L,t) = 0............................... B.C 2
1
pr = 0 and qr =
()
but () =
1
pr = 0 and qr =
Initial Condition (IC);
C(x,0)= C0.............................................. I.C
C0 = 1
C(x,0)= 1
MATLAB CODE 3
Problem 4:
Consider the one-dimensional diffusion problem below in which diffusivity depends on
concentration.
2 () 2
= () + ( ) ( ) 0 < x L; 0<ttf
2
Initial Condition: c( x,0)= 0 () =
Boundary Conditions: (1) c( 0,t)= 0

(2) |(L,t) = 0 (Insulated at this end)

Data: 0 = 1; L = 2; tf = try different values
Solution
Pdepe in Matlab will be used to solve the diffusion problem to plot the appropriate graphs, the
equation will be re-arranged to get the necessary data needed for the plot.
Rearranging the equation;
2 () 2
= () + ( ) ( )........ (1)
2
() 2
=

(()
) + (
) ( ) (2)
Comparing equation (2) with the general equation;

C = x-m (mf ) + s

() 2
C = 1; m = 0; f =() ;s=( ) ( )

For the Boundary conditions, BC
BC No 1: Left (l)
Having the general equation as ;
p + qf = 0

p + q(() ) = 0 .................................................. (3)

For the first B.C we compare the coefficients of p and q
c( x,0) = 0 .............. B.C 1

pl = Cl - Coe(-t)
Co = 1
pl = Cl - e(-t) and ql = 0
BC No2: Right (r)
Comparing the second B.C with the general equation (3);
| (L,t) = 0............................... B.C 2
1
pr = 0 and qr =
()
but () =
1
pr = 0 and qr =
Initial Condition (IC);
C(x,0)= C0.............................................. I.C
C0 = 1
C(x,0)= 1
MatLab Code 4

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DEPARTMENT OF MATERIAL SCIENCE AND

AFRICAN UNIVERSITY OF SCIENCE AND TECHNOLOGY

PROFESSOR: PROF. ACHENIE

Electrical Insulated bar >> No electric flow

J Q = J Q (FQ, Fq, Fm, F1, F2, F3,....................................... FN)

JQ = JQ (FQ, F1) .Primary driving forces

J1 = J1 (FQ, F1)..Secondary driving forces

From Onsagers symmetry principle = , therefore L1Q = LQ1

From (2) we have; 1 FQ + 11 F1 = 0

Substitute (3) into (1)

from Fourier emperical law,

substituting equation (5) and (6) into (4) gives;

The derived expression is;

Initial Condition: c( x,0)= 0 () =

Boundary Conditions: (1) c( 0, t)= 0

Data: 0 = 1; L = 2; tf = try different values

Comparing equation (2) with the general equation;

For the Boundary conditions, B. C

B.C No1: Left (l)

Having the general equation as

For the first B.C we compare the coefficients of p and q

BC No2: Right (r)

Comparing the second B.C with the general equation (3);

| (L,t) = 0............................... B.C 2

Initial Condition (IC);

C(x,0)= C0.............................................. I.C

Initial Condition: c( x,0)= 0 () =

Boundary Conditions: (1) c( 0,t)= 0

Data: 0 = 1; L = 2; tf = try different values

Rearranging the equation;

Comparing equation (2) with the general equation;

For the Boundary conditions, BC

Having the general equation as ;

For the first B.C we compare the coefficients of p and q

c( x,0) = 0 .............. B.C 1

BC No2: Right (r)

Comparing the second B.C with the general equation (3);

| (L,t) = 0............................... B.C 2

C(x,0)= C0.............................................. I.C

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