In a propylene chlorination plant, chlorine reacts with propylene to pro-

duce allyl chloride, 1,2-dichloropropane, 1,3-dichloropropene and

hydrogen chloride. The reaction takes place at 800°F (425°C) and 70
psia (5 kg/cm2) in a homogeneous gas phase reactor and the resulting
products are separated in a fractionation section. Most of the unreacted
propylene is recycled back to the reactor. The reactor volume is 10 ft3
(0.3 m3). For a product flowrate estimate, let’s assume that nearly all the
chlorine is converted, i.e., Cl2 in S13 = 1% CL2 flowrate.

The flowsheet, stream and process data are shown below. Use Soave-
Redlich-Kwong thermodynamics with Costald liquid densities.

12 – 27009.6
Cl 2 + C 3 H 6 C 3 H 5 Cl + HCl Rate = 3.36 10 e ---------------------- C Cl CC
RT 2 3 H6

8 – 6811.98
Cl 2 + C 3 H 6 C 3 H 6 Cl 2 Rate = 1.91 10 e ---------------------- C Cl CC
RT 2 3 H6

15 – 42300
Cl 2 + C 3 H 5 Cl C 3 H 4 Cl2 + HCl Rate = 7.51 10 e ------------------ C Cl CC
RT 2 3 H 5 Cl
 11 – 15005.4
Cl 2 + C 3 H 6 C 3 H 5 Cl + HCl Rate = 2.1 10 e ---------------------- C Cl CC
RT 2 3H6

7 – 37844.5
Cl 2 + C 3 H 6 C 3 H 6 Cl 2 Rate = 1.19 10 e ---------------------- C Cl CC
RT 2 3 H6

14 – 23500.1
Cl 2 + C 3 H 5 Cl C 3 H 4 Cl2 + HCl Rate = 4.69 10 e ---------------------- C Cl CC
RT 2 3 H 5 Cl

Build the flowsheet and enter the UOM, components, and thermody-
namic data, as usual.

In the Reaction Data dialog box, enter a Reaction Set Name and
click . The Reaction Definitions dialog box appears.
There are three reactions. In the first row of the grid, enter a name
for the first reaction.
Click on the Reactants = Products text to open the Reaction Compo-
nents dialog box.
In the first reaction, one mole of chlorine reacts with one mole of propy-
lene to form one mole of allyl chloride and one mole of hydrogen chlo-
ride, as shown below in Figure 57.
Enter the stoichometric data for the second and third reactions in a simi-
lar manner until all three Reaction Definitions are blue in the Reaction
Definitions dialog box.

The equations conform to the default Power Law Kinetic Rate Calcula-
tion Method so you do not need to change this, just enter the data.

For the first reaction, click to enter kinetic data.

Since this reaction takes place in the vapor phase, change the Default
Phase to Vapor.
The completed dialog box is shown below.
Enter the kinetic data for the second and third reactions in a similar way.

In the Continuous Stirred Tank/Boiling Pot Reactor dialog box,

select the Reaction Set you have just created.
Enter the Fixed Temperature.
Click and enter the Reactor Volume (Figure 60a).
Click and enter 2.5 lbmoles/hr Cl2 1% CL2
flowrate [250 * 0.01 = 2.5] (Figure 60b).

Save the data and return to the main CST Reactor dialog box.
Click and enter the Outlet Pressure.

The completed dialog box is shown in Figure 61.

Run the simulation and view the results.

Approximately 94% of the chlorine and 62% of the propylene is con-
verted into the products allyl chloride, 1,2-dichloropropane, 1,3-dichlo-
ropropene and hydrogen chloride.