Unit 4 Batch Reactors

Material Balance (Reactant A)

- single phase
- single reaction
dn A
= −rA VR with : n A = n A0 (1 − X A )
dt
d[n A0 (1 − X A )]
= −rA VR
dt
dX A
−n A0 = −rA VR
dt
XA
dX A
t = n A0 ∫ rA VR
0 1
rAVR Area = t/nA0
Simplifying assumptions
- Perfectly mixed (no spatial gradients)
- No continuous feed and product

0 XA
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Unit 4 Batch Reactors

Enthalpy Balance
If cooling is insufficient,
Heat capacity of Specific heat capacity i.e. ha(T-TW ) is small
the reactor of the reaction mixture compared to the heat
release by the reaction
(-∆HR)r, reactor stability
d[(C W + m R cp ) ⋅ T] becomes a critical issue
= ha(TW − T) + VR ∑ (−∆H R ) j rj (rate depends on T)
dt j

Adiabatic Operation (no heating/cooling)

d[(C W + m R cp ) ⋅ T]
= VR ∑ (−∆H R ) j rj
dt j

For single irreversible reaction (constant heat

capacity, density and heat of reaction):
n A0 (−∆H R )
T = T0 + ⋅ XA Adiabatic Temperature Change
(C W + m R cp )

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Unit 4 RBatch

Semibatch Reactor

Vent

Continuous
feed

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 Unit 4 RBatch Flowsheet Integration

Aspen Plus Flowsheet calculations refer to steady state, but batch

operations are unsteady
→ RBatch assumes storage tanks and uses a cycle time

Feed Vent Vent

Holding Accu- Holding
Flowsheet Stream Tank mulator Tank
for Batch Charge
Flowsheet Stream
for Vent Product

Vent Product transferred

Batch Charge transferred once each cycle
once each cycle

Flowsheet Stream
for Continuous Feed
(optional) Reactor Product Flowsheet Stream for
transferred once Reactor Product
Product
each cycle
Holding
Tank
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Unit 4 RBatch Batch Charge and Operation Times

RBATCH
System Boundary
Vent Product
„Feed Stream“ mFeed Stream
Vent = f(t)

Vent
Product
Batch Charge:
mFeed × tFeed or: Reaction
mFeed × tCycle Mixture = f(t)

Continuous Feed „Product Stream“

Stream Reactor Product

If specified „Batch Feed Time“ and calculated „Cycle Time“ differ, inlet and
outlet streams will not be in mass balance !

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Unit 4 RBatch Forms

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Unit 4 RBatch Setup

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Unit 4 RBatch Specifications

Reactor Operating Specification Pressure Specification

• Constant Temperature • Specify Reactor Pressure

• Temperature Profile • Specify Reactor Pressure Profile
• Constant Heat Duty • Calculate Reactor Pressure
• Heat Duty Profile
• Constant Coolant Temperature
• Heat Transfer User Subroutine
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Unit 4 RBatch Temperature and Pressure Specifications

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Unit 4 Rbatch Reactions

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Unit 4 RBatch Stop Criteria

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Unit 4 RBatch Operation Times I

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Unit 4 RBatch Operation Times II

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Unit 4 RBatch Continuous Feeds

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Unit 4 RBatch Controller

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