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Objectives/Outline
Introduce you to a textbook example that will
appear in the newest edition of H.Scott Fogler,
Essentials of Chemical Reaction Engineering
This example appears in Chapter 13 of the new
book. Unsteady-State Non isothermal Reactor
Design
Methods used to model the reaction
Demonstration of integration of Polymath to
solve the problem
+ Na
Na
1
H2
2
Hydrogen immediately comes out of the solution and is vented at the top in
the gas head space.
diglyme decomposition
Reactor Details
Figure 8
Reactor
Cross
Section
Cooling jacket
steam outlet
Cooling jacket
water inlet
reaction 1
exotherm
Simplified Model
A = sodium,
B = methycyclopentadiene
S = Solvent (diglyme)
(1) A + B C + 1/2 D (gas)
(2) S 3 E (gas) + F
Initial temperature 422 K (300F)
Reaction Kinetics
Reaction 1: Overall 2nd order, first order in Na
and MCP
r1A = k1CACB
k1A = 5.73 102 dm3 mol1 hr1
E1 = 128,000 J/mol K*
Heat of Reactions
The heats of reaction are constant.
HRx1A = 45,400 J/mol
HRx2S = 3.2 105 J/mol
Problem Statement
Plot and analyze the reactor temperature and
head space pressure as a function of time
along with the reactant and product
concentrations for the scenario where the
reactor cooling fails to work (UA = 0). In
problem P13-2(f) you will be asked to redo
the problem when the cooling water comes
on as expected whenever the reactor
temperature exceeds 455 K.
dC A
r1 A
dt
(E13-6.1)
dCS
r2S
dt
(E13-6.2)
Energy Balance
Applying Equation (E13-18) to a batch system (Fi0 = 0)
dT V0 r1 AH Rx1 A r2 S H Rx 2 S UAT Ta
dt
N j CPj
(E13-6.18)
dt
1.26 10 7 J K
(6
(E13-6.19)
(6)
Questions?