BioE.

335
Homework 6

Problem 1. Using the adjacent figure, derive in Cartesian coordinates, the steady-state material
balance for mass transport and reaction of
substrate S in a gel layer containing uniformly
distributed enzyme. Assume a first order reaction, rs
= -kCS. State all boundary conditions. Define a set
of dimensionless variables similar to those in class.
Solve the equation to derive the concentration
profile of S in the gel as a function of position, x.

Next, derive an equation for the effectiveness

factor, h, in Cartesian (slab) geometry as a function
of a Theile modulus.

Continuity Eqn. For diffusion with 1st order reaction at Steady-state is

Ds-gel d2S/dx2 = kS (1)
BC are:
x=0 dS/dx = 0 no flux through the wall
x=L S = Sbulk

Dimensionalize by defining the following: S+ = S/Sb and X+ = x/L

…… dS+ /d(x+)2 = [L2k/ Ds-gel] S+

2
Subing into eqn 1 (2)

__________
Define the Theile Modulus here as F = √L k / D
2
s-gel

2
therefore, eqn 2 reduces to…… dS+ /d(x+)2 = F2S+ (3)

and BCs become at x+ = 1 S+ = 1 and x+ = 0 dS+/dX+ = 0.

Solution to Eqn. 3 is of the general form…. S+(x+) = Acosh(F x+) + Bsinh(F x+) (4)

For specific solution, need to determine A and B at BCs…

At x+ = 0 dS+/dx+ = 0 = (take derivative of eqn 4; evaluate at x+ = 0) =

0 = AF sinh(F 0) + BF cosh (F 0)

sinh(0)=0 cosh(0) = 1

so A can be anything and equation is correct, but B must be = 0 or equation is wrong…….

Therefore, Eqn. 4 becomes S+(x+) = Acosh(Fx+) (5)

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Now at x+ = 1 S+ = 1 = Acosh(Fx+) or S+ = 1 = Acosh(F1) thus A = 1/cosh(F)

So, the complete specific solution is S+(x+) = cosh(Fx+)/cosh(F) or in dimensional terms,

S(x) = Sbulk cosh(Fx/L)/cosh(F) (6)

Part B.
Define Effectiveness factor, h = Robserved / Rtrue

Robs = A Ns|x = L or Robs = -A Ds-gel dS/dx|x = L Sub in EQ 6.

Robs = -A Ds-gel d/dx [Sbulk cosh(Fx/L)/cosh(F)] -A Ds Sb [(F/L)sinh(FL/L)/cosh(F)] @ x=L

OR Robs = -A Ds-gel Sbulk F sinh(F) / Lcosh(F) = -A Ds-gel Sbulk F tanh (F) /L

Rtrue = -A L kSbulk Therefore h = -A Ds-gel Sbulk F tanh (F) /L[-A L kSbulk ]

h = Ds-gel F tanh (F) / L2k or h = tanh (F) / F

Problem 2. From the adjacent figure, derive the steady-state material balance for the reactant CA
diffusing and reacting within an immobilized enzyme layer in Cartesian coordinates. Assume a
first order reaction, rA = -kCA occurs within the layer only. Now assume that there is significant
EXTERNAL mass transport resistance along with internal mass transport resistance to the
transport of CA into the gel layer. So, instead of the x = L boundary condition being CA = CABULK,
now this boundary condition is modeled assuming there is a linear gradient between the x = L
condition and the bulk condition far away from the gel layer surface, so that

@ x = L, NA-X = — DA-liq dCA/dx ≈ Ks (CABULK – CA(x=L))

where KS = external or overall mass transfer coefficient.

Solve now for the concentration profile, CA (x), in the

enzyme layer.

Besides the Theile modulus definition you are familiar with,

you will also need to define another group called the BIOT
number, bi = Ks L/Deff.

ANSWER:
Governing Equation is: Deff d2CA/dx2 = kCA Eq. 1

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But Boundary Conditions are now:
x = 0 dCA/dx = 0 no flux through wall
x = L - Deff dCA/dx = Ks [CAbulk – CA (x=L) ]
Normalize Equation 1 as before, using … x+ = x/L and C+ = CA(x)/CAbulk

So you get the following… d2C+/dx+2 = F2 C+ Eq. 2

where F = (L2k/Deff)0.5
And the BCs are now
x+ = 0 dC+/dx+ = 0 and
x+ = 1 dC+/dx+ = — bi [1 – C+ (x+ = 1) ]

Solution to Eq. 2 is similar to notes in class for sphere….

C+ (x+) = Acosh (F x+) + B sinh(F x+) so at x+ = 0 dC+/dx+ = 0 thus

dC+/dx+ = 0 = AFsinh (F x+) + BFcosh(F x+) only way this can be true is that B must =0

reduced solution now C+ (x+) = Acosh (F x+) Eq. 3

@x+ = 1 dC+/dx+ = — bi [1 – C+(x+ = 1) ] = AFsinh (F x+) Eq. 4

but note at x+ = 1; Eq. 3 says C+ (1) = Acosh(F•1) put this into Eq.
4 then solve for A. Put result back into Eq. 3, rewrite yields…

C+ (x+) = bi cosh(F x+) / [bi cosh(F) - Φsinh (Φx+ ) ]

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