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CENG3001 – Process Dynamics & Control – 2014

Coursework 1 Modeling and Simulation of Biochemical Reactors

Hand-in: Departmental Office by November 15 at 12:00 p.m.

L. Mazzei

CENG3001 – Coursework 1

1

Introduction

Biochemical reactors are employed to produce a large number of intermediate and final products, including pharmaceuticals, food and beverages. Biochemical reactor models are similar to chemical reactor models, since the same type of material balances is performed. In the simplest reactor, we consider two components:

biomass and substrate. The biomass consists of cells that consume the substrate; in other words, the biomass grows by feeding on the substrate. One example would be a wastewater treatment system, where the biomass is used to “eat” waste material (substrate). Another example is fermentation, where cells consume sugar and produce alcohol.

Consider the biochemical reactor shown in Figure 1. The net reaction rate r 1 (i.e., mass of cells generated per unit volume and time) is normally written in the following form:

r 1 = µ(x 2 )x 1

where x 1 is the biomass concentration (i.e., mass of cells per unit volume) while µ is the specific growth rate coefficient (1/time). One can think of µ as being similar to a first-order reaction rate constant; however, µ is not constant, for it is a function of the substrate concentration x 2 . Many functional relationships between the growth rate coefficient µ and the substrate concentration x 2 have been developed. The most common are 1) Monod and 2) Substrate Inhibition.

Monod model

The growth rate often varies in hyperbolic fashion. The form of the constitutive equation reported below was proposed by Monod.

µ(x 2 ) =

µ m x 2

k 1 + x 2

Note that µ is first-order at low values of x 2 , because µ(x 2 ) (µ m /k 1 )x 2 as x 2 0, whereas zero order at high values of x 2 , because µ(x 2 ) µ m as x 2 → ∞.

Substrate Inhibition model

Sometimes µ increases at low substrate concentrations, but decreases at high substrate concentrations. The physical reason may be that the substrate has a toxic effect on the biomass cells at high concentrations. This effect is called substrate inhibition and is modeled by this constitutive equation:

µ(x 2 ) =

µ m x 2

k 1 + x 2 + k 2 x 2

2

Biomass generation rate r 1 and substrate consumption rate r 2 are related by the yield Y r 1 /r 2 , which is the mass of cells produced per mass of substrate consumed.

F x 0 x 10 20 CSTR F = F x x V 0 1
F
x
0
x 10
20
CSTR
F = F
x
x
V
0
1
2

Figure 1: Perfectly mixed biochemical reactor.

L. Mazzei

CENG3001 – Coursework 1

2

1 Dynamic model

Assuming that F 0 and F are equal and constant, derive from first principles the mass balances on the biomass (cells) and the substrate (feed source for the cells). State clearly all your additional assumptions. Defining F/V as D, the dilution rate, write your model on the state variables in the form:

dx

1

dt

dx

2

dt

=

=

f 1 (x 1 , x 2 , D,

f 2 (x 1 , x 2 , D,

x

x

20 )

20 )

(1.1)

(1.2)

Generally, we assume that there is no biomass in the feed stream, so x 10 = 0. Note that the dilution rate D is the inverse of the reactor residence time.

2 Linearized model

For both the Monod and the Substrate Inhibition models, linearize the equations found above and write them in terms of deviation variables in the following form:

dxˆ

dt

= Axˆ + bxˆ 20

(2.1)

where A and b are a matrix and a vector, respectively, of scalar coefficients that you have to obtain (symbols only, not numbers), whereas xˆ x 1 , xˆ 2 ] T is a deviation variable vector.

3 Stationary solutions (MATLAB)

Derive an expression for the steady-state concentration of the biomass x 1s from equation 1.2. Introduce this expression into equation 1.1 and use fzero in MATLAB to find all the possible stationary solutions for the biomass and the substrate concentrations x 1s and x 2s for both the Monod and the Substrate Inhibition models using the data given in Table 3. Tabulate your results. Hand in your MATLAB program.

4 Dynamic simulations (MATLAB)

Using the nonlinear model (that represented by equations 1.1 and 1.2) and ode23 in MATLAB, simulate the process with these initial conditions:

Monod

Case

Biomass concentration

Substrate concentration

1 0.10 g/liter

2 1.50 g/liter

3.90 g/liter

0.20 g/liter

Substrate Inhibition

Case

Biomass concentration

Substrate concentration

3 0.10 g/liter

4 0.95 g/liter

5 1.50 g/liter

3.90 g/liter

1.50 g/liter

0.20 g/liter

Table 1: Initial conditions.

L. Mazzei

CENG3001 – Coursework 1

3

Plot the concentrations for each case for both the Monod and the Substrate Inhibition models. Comment on the stability of the steady-state solutions found earlier. Remember to hand in all your MATLAB programs and the plots. Use the following notation:

Symbol

Meaning

Units

x

10

inlet biomass concentration

mass of cells/volume

x

20

inlet substrate concentration

mass of substrate/volume

x

1

outlet biomass concentration

mass of cells/volume

x

2

outlet substrate concentration

mass of substrate/volume

r

1

rate of cell generation

mass of cell generated/volume time

r

2

rate of substrate consumption

mass of substrate consumed/volume time

F 0

inlet volumetric flow rate

volume/time

F

outlet volumetric flow rate

volume/time

Table 2: Notation.

Use these parameters for the Monod and substrate Inhibition models:

 

Monod

Substrate Inhibition

 

µ

m

0.53

1/hr

µ

m

0.53

1/hr

k

1

0.12

g/liter

k

1

0.12

g/liter

k

2

0.4545

liter/g

x

20

4.00

g/liter

x

20

4.00

g/liter

Y

0.40

Y

0.40

D

0.30

1/hr

D

0.30

1/hr

Table 3: Parameters to be used in the models.