Diffusion Calculations in Materials Science
Translated by
ScribdTranslationsDiffusion Calculations in Materials Science
Translated by
ScribdTranslationsMaterials Science
Diffusion
Prof. Juliano Borges
Exercise I
A iron plate is exposed to 700°C in a carburizing atmosphere (rich in carbon) in
one of its sides and a decarbonizing atmosphere (deficient in carbon) on the other side.
If a steady-state condition is reached, calculate the diffusion flux of carbon.
through the plate, given that the carbon concentrations at the positions 5 and 10 mm (5x10-3e
10-2m) below the surface are 1.2 and 0.8 Kg/m3respectively. Consider a coefficient of
diffusion of 3x10-11m2/s at this temperature.
Resolution:
Fick's 1st Law: The diffusion flux (J) is determined by:
Where:
D = diffusion coefficient
C = variation of concentration
x = change in position (or distance)
One must pay close attention to the units for the
execution of the calculations! That is, the dimensions must be
expressed always in the same unit: do not mix meters
in millimeters, for example!
Exercise II
A gaseous mixture containing H2, N2, O2the water vapor is pressurized against a blade of 6
mm thick palladium with an area of 0.25 m2at 600°C. The diffusion coefficient is
DH/Pd(600°C) = 1.7x10-8m2the concentration on the high and low pressure plate side is
respectively 2.0 and 0.4 KgH2/m3The diffusion occurs in a steady state. H2é
purified by spreading more quickly than the other gases, reaching the other side of the
sheet that is kept under atmospheric pressure. Calculate the diffusion flux of H2
(purification) in kg/hour.
Resolution:
The diffusion occurs in a steady state: one must therefore apply Fick's 1st Law:
It is requested that the flow be calculated in Kg/h. Thus, we need to multiply the result by the area of the
blade
The resulting flow is expressed in kg/s. We need to determine it in kg/h.
It is known that:
Like this:
Exercício III
The aim is to cement a steel with 0.1%C, keeping it in an atmosphere with 1.2%C at high temperatures.
temperature, until it reaches 0.45%C at a depth of 2 mm below the surface.
What is the total time of cementation if the diffusion coefficient is D = 2x10-11m2/s?
Cementation means introducing carbon into the surface. This treatment is
quite achieved in gears. The goal is to increase hardness
superficial of the material - because, in general, the hardness of a steel increases
with the increase in carbon content.
Resolution:
In the statement of the question, stationary regime is not mentioned. In fact, in the case of
cementation, a linear concentration gradient is not obtained, and thus, we are in
presence of a non-stationary regime. Thus, in order to solve the problem, it is necessary
employ the 2nd Fick's Law:
Where:
Cxcomposition at point x
C0initial concentration
Csconcentration on the surface
erf = error function
x = distance/depth/position
D = diffusion coefficient
t = time
We now know that the error function, or erf(z), where z = , it is worth 0.682. Using the table from
error function, we can determine the value ten.
Error function table
The value of z for the precise value of erf(z)=0.682 is not found in the table (but at least already
we know that it should be around 0.7 to 0.75). In order to determine the value of z with
precision, we will need to do an interpolation:
z erf(z)
z1 e1
z e
z2 e2
Thus, remembering that our error function is 0.682:
z erf(z)
0.70 0.6778
z e
0.75 0.7112
Remembering that:
Let's square both sides to remove the square root and free our
unknown
Knowing that 1 hour = 3600 s:
Exercise IV
The cementation of 1 mm of a gear at 800°C requires 10 hours. What would be the time?
necessary to achieve the same depth at 900°C?
Given: Q for the diffusion of iron CFC = 137859 J/mol. R = 8.31 J/mol.K.
Resolution:
In the statement of the question, it was not said that it was a steady-state regime, so in this
If we are going to have to use the formula for the unsteady-state regime, or Fick's 2nd Law:
At both 800°C and 900°C, we wish to form a layer of the same thickness and the same
composition. Thus:
Cx (800°C) = Cx (900°C)
C0 (800°C) = C0(900°C)
Cs (800°C) = Cs(900°C)
As a consequence:
erf(z) (800°C) = erf(z) (900°C)
And that's why:
z (800°C) = z (900°C)
That is, as:
We have to:
The thickness we want to cement, both at 800°C and 900°C, is the same (1 mm, that is
1.10-3m). Thus, we can simplify the equation even further:
We can square both sides to extract the square root:
And finally:
The diffusion coefficient D is determined by:
It is important to note that the gas constant is expressed in Kelvin. Thus, we will have to
convert our temperatures to Kelvin:
800°C = 1073 K
900°C = 1173 K
Let's now isolate our unknown, t,(900°C, ou 1173 K) :
How, once again:
The terms D0we cancel:
Like you(1073)= 10 h:
Exercise V
It is known that DAl/Cu(200°C) = 2.5x10-24m2/s e DAl/Cu(500°C) = 3.1x10-17m2Calculate the energy of
activation for the diffusion of aluminum in copper.
Resolution:
We need to use the temperature in Kelvin:
200°C = 473 K
400 °C = 773 K
Thus:
We know that:
Logo:
The terms D0we cancel, and we can replace the value of the constant R:
We need to remember an important property of exponential functions:
We can thus simplify our equation, which becomes:
To isolate our unknown Q, we need to apply the natural logarithm to both sides.
from the equation:
Remembering that:
We have:
Comoln(e) = 1, we have:
Exercise VI
The pre-exponential constant and the activation energy of Fe in cobalt are given. In which
temperature or diffusion coefficient will have the value of 2.1x10-14m2/s?
! Missing data in the statement:
D0= 1,1.10-5m2/s
Q = 253.300 J/mol
Resolution:
We apply the natural logarithm to both sides of the equation:
Remembering again that:
We have:
Comoln(e) = 1,
Exercise VII
Rank the magnitudes of the diffusion coefficients for the following in descending order
systems:
N no Fe at 700°C
Cr no Fe at 700°C
N no Fe at 900°C
Cr no Fe at 900°C
Given: Both Fe and Cr have a CCC crystalline structure, and the atomic radii for Fe, Cr
N are 0.124, 0.125, and 0.065 nm, respectively.
Resolution:
N no Fe at 900°C
At 700°C
Cr not Fe at 900°C
Cr no Fe at 700°C
The higher the temperature, the greater the diffusion coefficient, as D depends on T:
The smaller the size of the atom, the more easily it will diffuse, thanks to the mechanism.
interstitial diffusion. As the N atom is smaller than the Cr atom, it diffuses interstitially.
in the structure of iron.
Exercise VIII
A 1.5 mm thick iron sheet is placed in a nitrogen atmosphere at
1200°C in order to establish a steady-state diffusion condition. The
The diffusion coefficient of nitrogen in steel at this temperature is 6x10-11m2the flow of
diffusion is 1.2x10-7kg/m2It is known that the concentration of nitrogen on the leaf side of
the steel where the pressure is higher is 4 kg/m3At what depth below the surface on the side where
the pressure is higher can measure a concentration of 2.0 kg/m3?
Resolution:
Fick's 1st Law:
Exercise IX
Nitrogen in the gas phase must be diffused into pure iron at 700°C. If the concentration
superficial is maintained at 0.1% m of nitrogen, what will be the concentration 1 mm below the surface
after 10 h? The diffusion coefficient of nitrogen in pure iron at 700°C is 2.5x10-11m2/s.
Resolution:
Fick's 2nd Law:
The diffusion coefficient is expressed in m2So, we need to convert the time of
statement (10 h), in seconds:
And this way:
We now need to consult the error function table to determine the value of the error function.
[erf(z)], as a function of the value of z (0.5270):
Error function table
The value of erf(z) for z = 0.5270 is not found in the table (but at least we already know that it)
should be in the range of 0.5205 to 0.5633). In order to determine the value of z precisely, we will
I need to do an interpolation.
z erf(z)
z1 e1
z e
z2 e2
Like this:
That is to say:
Finally: