Isomerization in a PFR

with Aspen HYSYS®

Using Aspen HYSYS® V8.0

Revised: November 26, 2012

© 2012 Aspen Technology, Inc. All rights reserved

 Reaction Kinetics

 1st order reaction kinetics

 𝑟𝐴 = 𝑘𝐶𝐴
𝑁𝐴 𝑑𝐶𝐴
 𝐶𝐴 = ; = −𝑟𝐴
𝑉 𝑑𝑡
𝑑𝐶𝐴
 = −𝑘𝐶𝐴
𝑑𝑡
– Exponential shape

© 2012 Aspen Technology, Inc. All rights reserved | 2

 Residence Time

 rA is ‘moles of reactant becoming product per time, per

volume’
– Time until any given conversion of reactant is independent of
reactor size
 This time is called Residence Time, τ
– Can be solved for analytically
 Residence time and volumetric flow rate are used to size
reactors

© 2012 Aspen Technology, Inc. All rights reserved | 3

 Plug Flow Reactor

 Assumes perfect radial

AB
mixing and no axial mixing
 Position down tube, z, is
analog for time
 For differential control CA0
𝑑𝐶
volume: 𝑑𝑡𝐴 = −𝑟𝐴
CA(z)
𝑑𝑧
 = 𝜈, 𝑙𝑖𝑛𝑒𝑎𝑟 𝑠𝑝𝑒𝑒𝑑 (𝑐𝑜𝑛𝑠𝑡𝑎𝑛𝑡) z
𝑑𝑡
𝑑𝐶𝐴 𝑑𝐶𝐴
 = 𝜈 = −𝑘𝐶𝐴
𝑑𝑡 𝑑𝑧

© 2012 Aspen Technology, Inc. All rights reserved | 4

 Problem Statement

 Use Apsen HYSYS to calculate the reactor length required to

achieve 90% reactor conversion.

 Assume steady state operation, a single tube reactor with a

diameter of 2 inches

 Assume a feed stream of 100% cis-2-butene with a flow

rate of 1 kgmole/h at 10 bar and 25°C

© 2012 Aspen Technology, Inc. All rights reserved | 5

 Copyright

 Copyright © 2012 by Aspen Technology, Inc. (“AspenTech”). All

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