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Temperature Model in Reactors

Use temperature control to guarantee the operation of the performance of chemical reactions. - [Implementation Time: 60 Minutes]
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What does this application do?

Context: Reactors in many industries are key equipment for transforming raw materials into intermediate products or final products. To achieve this transformation, in some cases temperature control is required to guarantee the operating temperature.

 

Objective: Use temperature control to guarantee the operation of the performance of chemical reactions.
 

 

How to use:

1 - The reactor volume  1.1 [m³]

2 - First order reaction with respect to the concentration of propylene oxide and zero order with respect to excess water, reaction model is followed.

3 - Representation of the reaction.

temperature-model-in-reactors_formula01EN

4 - The activation energy is

temperature-model-in-reactors_formula02.jpeg
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5 - The units are

temperature-model-in-reactors_formula03.jpeg

6 - Conversion of reaction is assumed to be 85%

7 - Initial Flow,

 

 

temperature-model-in-reactors_formula04EN
 
Limitations:

In the current configuration, the chosen reactor is an ideal perfect mixture reactor (ideal CSTR) so that in the liquid inside, it is assumed that:

  1. In the reactor there is no evaporation of any of the components and, additionally, the adiabatic process is considered.
  2. Mixture properties are not considered, that is, the properties of the mixture will be the weighted sum of the properties of each of the species.
  3. The properties of substances are all independent of composition and, therefore, invariant over time.
  4. Although the reaction is reversible, the reverse reaction can be considered negligible.

 

Problem to be addressed: The idea is to have an initial configuration element, in which temperature is an important parameter to produce Propylene Glycol.

 

 

Is this application relevant to me?

The temperature and reaction control model is useful because it can be used by other developers to represent the reaction model that is influenced by temperature.

 

 

How can I make it work?

Requirements: products, tools, prior knowledge.

Software:

  • Studio5000 34.11.00
  • FactoryTalk Logix Echo V3.00.00
  • Process Library 5.20.01

Tools: PlantPAX Process Libraries.

Prior knowledge

  • Reaction and heat transfer model.

Related Resources and Links

  • An efficient two-phase reaction of ethyl acetate production in modified ZSM-5 zeolites - ScienceDirect
  • Multi Product Selector
 
 
 
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Implementation Guide

 
  1. Step 1
  2. Step 2
  3. Step 3
  4. Step 4
  5. Step 5
  6. Step 6
  7. Step 7
Open All Close All
Step 1

 

 

 

Open FactoryTalk Logix Echo, add a new controller and connect it.

temperature-model-in-reactors_Paso01.png

temperature-model-in-reactors_Paso01

Step 2

 

 

 

Download the .ACD setup to your desktop and run it from Studio 5000.

 

Determining the volume of the reactor is super important, because it gives us key parameters such as the time the reaction will last, which is why we created a label called Reactor Volume, which has a fixed value of 1.1 m3 and coincides with the established assumptions, above.

temperature-model-in-reactors_Paso03.png

temperature-model-in-reactors_Paso03

Step 3

 

 

 

As in all reactions, the appropriate stoichiometry between reactants is important and considering that one of its components is propylene oxide, the tag associated with Propylene Oxide, reagent A, is created.

 

Which was explained in the assumptions and determined that the Propylene Oxide has an average flow of 10m3/h and this value is established as its input flow.

temperature-model-in-reactors_Paso04.png

temperature-model-in-reactors_Paso04

Step 4

 

 

 

As mentioned in the previous step, it is important to be able to estimate the water flow rate, which would be 6.5 m³/h, corresponding to Reagent B, as previously explained.

 

Let us recall that this water stream contains traces of H₂SO₄ as a catalyst.

The reaction has propylene oxide and water as reactants in units of  [m³/h], initially propylene oxide has 10 [m³/h] and water  6.5 [ m³/h].

 

The reaction takes place in a reactor of 1.1 [ m³] and with an activation energy of

temperature-model-in-reactors_formula02.jpeg
temperature-model-in-reactors_Paso05.png

temperature-model-in-reactors_Paso05

Step 5

 

 

 

At this point we need the activation energy configuration, for this we will assign a single page in the configuration, there we will enter the different constants in their order.

  • Activation Constant:
temperature-model-in-reactors_formula05.jpeg
  • Ideal Gas Constant:
temperature-model-in-reactors_formula06.jpeg
temperature-model-in-reactors_Paso06.png

temperature-model-in-reactors_Paso06

Step 6

 

 

 

After the reaction starts, the formation of products such as propylene glycol uses the interaction between reactor volume V, activation energy, propylene oxide compositions A, and this mathematical model is followed. 

The production of propylene glycol is given in the following units in 

temperature-model-in-reactors_formula07.jpeg
temperature-model-in-reactors_formula08.jpeg

 

As shown below.

 

Part A

temperature-model-in-reactors_Paso07-1.png

temperature-model-in-reactors_Paso07-1.png

Part B

temperature-model-in-reactors_Paso07-2.png

 

temperature-model-in-reactors_Paso07-2

Step 7

 

 

 

After the reaction starts, the temperature inside the reactor uses the interaction between the initial reactor temperature, the formation energy, and the temperature constant to determine the temperature inside the reactor.

temperature-model-in-reactors_Paso08.png

temperature-model-in-reactors_Paso08

 
 
 
 
 
temperature-model-in-reactors_Paso01.png

temperature-model-in-reactors_Paso01

temperature-model-in-reactors_Paso03.png

temperature-model-in-reactors_Paso03

temperature-model-in-reactors_Paso04.png

temperature-model-in-reactors_Paso04

temperature-model-in-reactors_Paso05.png

temperature-model-in-reactors_Paso05

temperature-model-in-reactors_Paso06.png

temperature-model-in-reactors_Paso06

temperature-model-in-reactors_Paso07-1.png

temperature-model-in-reactors_Paso07-1

temperature-model-in-reactors_Paso07-2.png

temperature-model-in-reactors_Paso07-2

temperature-model-in-reactors_Paso08.png

temperature-model-in-reactors_Paso08

 
 

Temperature Model in Reactors

Version 2.1 - August 2026

 
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