Multiple reactions - 2013

Class date(s):	06 March
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Textbook references

• F2011: Chapter 8
• F2006: Chapter 6

Suggested problems

Will be posted soon

Class materials

06 March 2013 (08B-2)

• Audio and video recording of the class.

07 March 2013

• Audio and video recording of the class.

Polymath code for example in class. Make sure you plot the instantaneous selectivity, overall selectivity and yield over time. Compare these 3 plots during the batch to understand what each of these 3 variables mean.

# ODEs
d(CA) / d(t) = -k1*CA 
d(CB) / d(t) = k1*CA - k2*CB
d(CC) / d(t) = k2*CB

# Initial conditions
CA(0) = 2 # mol/L
CB(0) = 0 # mol/L
CC(0) = 0 # mol/L

# Algebraic equations
k1 = 0.5 # 1/hr
k2 = 0.2 # 1/hr

# The 3 important algebraic variables: plot these 3 against time and interpret them.
S_DU = if (t>0.001) then (k1*CA - k2*CB) / (k2*CB)  else 0
Overall_SDU = if (t>0.001) then CB/CC else 0
Yield = if (t>0.001) then CB / (2 - CA) else 0

# Independent variable details
t(0) = 0
t(f) = 3.1  # hours

11 March 2013

• Audio and video recording of the class.

13 March 2013

• Audio and video recording of the class.

Code for the CSTR example:

tau = 0:0.05:10;

CA0 = 2;  % mol/L
k1 = 0.5; % 1/hr
k2 = 0.2; % 1/hr

CA = CA0 ./ (1 + k1 .* tau);
CB = tau .* k1 .* CA ./ (1 + k2 .* tau);
CC = tau .* k2 .* CB;

instant_selectivity = (k1.*CA - k2.*CB) ./ (k2.*CB);
overall_selectivity = CB ./ CC;
overall_yield = CB ./ (CA0 - CA);
conversion = (CA0 - CA)./CA0;

plot(tau, CA, tau, CB, tau, CC)
grid on
xlabel('\tau')
ylabel('Concentrations [mol/L]')

figure 
plot(tau, overall_selectivity)
xlabel('\tau')
ylabel('Overall Selectivity')
grid on

figure 
plot(tau, overall_yield)
xlabel('\tau')
ylabel('Overall Yield')
grid on

figure
plot(tau, conversion)
xlabel('\tau')
ylabel('Conversion')
hold on
grid on