Problem

The elementary liquid phase reaction

a --- B

Is carried out in a CSTR. Pure a is fed at a rate of 200 lb mol/h at 530 R and a concentration of 0.5
lbmol/ft^3. the mass density of the solution is constant at 50 lb/ft^3.

a. Plot G(T) and R(T) as a function of temperature

b. What are the steady-STATE CONCENTRATIONS AND TEMPERATURES?

c. Apply the unsteady state mole and energy balance to this system. Consider the upper steady
state. Use the values you obtained in part (B) as your initial values to plot 𝐶𝐴 and T versus time
up to 6 hours and then to plot 𝐶𝐴 versus T.

d. Expand your results for part (c) by varying 𝑇𝑜 and 𝑇𝑎 . [hint: try 𝑇𝑜 590°R]. Describe what you
find.

e. What are the parameters in part (d) for the other steady states? Plot t and 𝐶𝐴 as a function of
time using the steady-state values as initial conditions at the lower steady state by value of
𝑇𝑜 =550 R and 𝑇𝑜 =560 R. start at the lower steady state (T=547.1, 𝐶𝐴 =0.425) and make a 𝐶𝐴 /𝑇
phase-plane plot for the base case in part (a) 𝑇𝑜 =530. now increase 𝑇𝑎 to 550 and then 560, and
describe what you find. Vary 𝑇𝑜 .

f. Explore this problem. Write a paragraph describing your results and what you learned from this
problem.

𝐹𝐴𝑂 −𝐹_𝐴
Material Balance CsTR: 𝑉 = −𝑟𝐴

Rate law: -𝑟𝐴 = 𝑘𝐶𝐴

Energy balance: 𝑄 − 𝑊𝑠 − 𝐹𝐴𝑂 ∑ 𝜃𝐶𝑝𝑖 (𝑇 − 𝑇𝑜 ) + 𝑟𝐴 𝑉(∆𝐻𝑅𝑋 ) = 0

neglecting shaft work

𝐶𝑝𝑜 = ∑ 𝜃𝐶𝑝𝑖 , since there is only one reactant

𝑄 = 𝑈𝐴(𝑇 − 𝑇𝑜 )
Rearranging and substituting equations;

−∆𝐻𝑅𝑋 𝑉𝑘𝐶𝐴 = 𝑈𝐴(𝑇 − 𝑇𝑜 ) + 𝜌𝑉𝑜 𝐶𝑝𝑜 (𝑇 − 𝑇𝑜 )

heat-generated term = heat-removed term

G(T) = R(T)

Equations and Parameters

30000
𝑘 = 2 ∗ 7.08 ∗ 1011 exp (− )
1.987𝑇

R(T)= 𝑈𝐴(𝑇 − 𝑇𝑜 ) + 𝜌𝑉𝑜 𝐶𝑝𝑜 (𝑇 − 𝑇𝑜 )

G(T)= −∆𝐻𝑅𝑋 𝑉𝑘𝐶𝐴

A. Plot G(T) and R(T) as a function of temperature

Using polymath

Figure 1. Program and Tables

Graph
 Figure 2. G(t) and R(t) in terms of a. 𝐶𝑎 and b. T

B. What are the steady-STATE CONCENTRATIONS AND TEMPERATURES?

Point of intersection

𝐶𝐴 = 0.425, T = 547.1 R  LSS (Lower Steady State)

𝐶𝐴 = 0.319, T = 571.3 R

𝐶𝐴 = 0.068, T = 628.6 r  USS (Upper Steady State)

C. Unsteady state and upper steady concentration and temperature as initial condition

Material Balance
𝑑𝐶𝑎 𝑣𝑜 (𝐶𝑎𝑜 −𝐶𝑎 )
𝑑𝑡
= 𝑉
− 𝑘𝐶𝑎

Energy balance
𝑑𝑇 𝑈𝐴(𝑇𝑜 −𝑇)−𝜌𝑣𝑜 𝐶𝑝 (𝑇−𝑇𝑜 )−∆𝐻𝑅𝑋 𝑘𝐶𝐴 𝑉
=
𝑑𝑡 𝜌𝑉𝐶𝑝
 Figure 3. Graphs a.) Ca vs t, b. T vs t

When the upper steady state is used as the initial conditions, the unsteady-state mole balance shows
that this steady state is actually unstable. The concentration increases and the temperature drops to the
lower stable steady state.

These shows the oscillation of concentration and temperature at their steady state.

D. Varying 𝑇𝑜 and 𝑇𝑎 = 590 R

Figure 4. Graphs a.) T vs t and b.) Ca vs t

When 𝑇𝑜 or 𝑇𝑎 is increases slightly, the upper steady state becomes stable. At these elevated inlet and
coolant temperatures, the lower steady state is no longer stable.

E. At lower steady state

Figure. 5. Program
 Figure 6. Graph at 𝑇𝑜 =550 R. a. Ca vs t, b. T vs t.

Starting at the lower steady state, if 𝑇𝑜 is increased to 550 R, the lower steady state is no longer stable,
but the upper steady state is. These show that the shift from lower steady state to upper steady state is
unstable as shown by the oscillation.

Figure 7. Graph at 𝑇𝑜 = 560 R. a. Ca vs t, b. T vs t.

The same condition applies to these graphs. The shift from lower steady state to upper steady state us
unstable but it was more stable than the previous graphs. These show that as you approach the
temperature T = 571.3 R, which is one of the point of the intersection, the shift becomes less stable.
 Figure 8. 𝐶𝑎 − 𝑇𝑎 Trajectory. a. 𝑇𝑜 = 550 R, b. 𝑇𝑜 = 560 R

Increasing 𝑇𝑎 will shift the trajectory to the left. However, the final steady state is shifted to the right.
This means that form the initial conditions, at any temperature 𝐶𝑎 is lower for the larger Ta until the
minimum in Ca is reached. The graphs show the phase plane of temperature and concentration. At a
certain temperature, it is possible to obtained two concentrations.

F. Findings

The intersection of heat-removed term and heat-generated term is basically the condition needed
for steady state process.Even though we use the upper steady state condition for Unsteady process
calculations, we saw that it is not that stable. In fact, as the temperature increases its upper limit
becomes more stable. But it doesn’t mean that you should increase always your reactor temperature
because we have what we call “Extinction temperature” where in slight increase from it will cause
unwanted reaction and equipment failure. At the lower steady state concentration, as the temperature
increase at its lower steady state became less stable, while its upper steady state became more stable