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ForK Tutorial Exercise 2 Creating new simulation project to estimate explosion hazard PowerPoint PPT Presentation


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Click here to continue. ForK Tutorial Exercise 2 Creating new simulation project to estimate explosion hazard. Aim: Determination of critical conditions of thermal explosion for a storage tank (drum) containing 80% solution of cumene hydroperoxide in cumene (well stirred assumption)

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ForK Tutorial Exercise 2 Creating new simulation project to estimate explosion hazard

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Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

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ForK TutorialExercise 2 Creating new simulation projectto estimate explosion hazard

Aim: Determination of critical conditions of thermal explosion for a storage tank (drum) containing 80% solution of cumene hydroperoxide in cumene (well stirred assumption)

Drum:Cylinder with R=0.2 m, H=0.8 m, V=0.1 m3(100 l), S=1.26 m2; void volume VV=0.01 m3(10 l), phi=1.01 (contribution of mass heat capacity of the container is small)

Product properties:=0.8 g/cm3. Cp=2 J/g/K, sample mass = 80 kg, initial temperature – 20 oC, phi=1.01

Heat exchange:General mode, U=10 W/m2/K;Tenv=50oC

Run Scoring


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

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ForK TutorialExercise 2 Creating new simulation projectto estimate explosion hazard

Kinetics: Complex reaction with 2 stages in parallel:(1) A  B – N-order initiation reaction; stage rate – r1(2) A+B  2B – autocatalytic stage; stagerate - r2

Math model:(1): lnK01=20.4; n11=2; E1=102 kJ/mol; Q1=800 J/g

(2)lnK02=23; n21=4; n22=3;E2=96 kJ/mol; Q2=1800 J/g


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Select Simulation mode


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Preliminary adjustment:

setting appropriate units


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Defining the drum model

Step 1. Defining general data

Data that are to be assigned:

1. Response to be simulated (heat production)

.01

1.01

72

2. Mass of a reagent and initial T

3. Void volume and pad gas data (in our case Pgo and Tgo are optional)

4. Mass specific heat and phi-factor


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

General data are ready


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Defining the drum model

Step 2. Defining Heat exchange mode

Data that are to be assigned:

1. Heat exchange mode - General

1.26

2. Неat exchange Surface

3. Неat transfer coefficient

4. Environment temperature(on the “Env. Temperqature” tab)


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

60.1

60.0

59.9

50


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Defining the drum model

Step 3. Defining kinetic model

Data that should be assigned:

1. Model structure

2. “Elementary” models for stages

3. Kinetic parameters

Creating model of two stages in parallel(the model of fullautocatalysis)

Stage 1 – of N-order type

Stage 2 - Proto


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Data that should be assigned:

1. Model structure

2. “Elementary” models for stages

3. Kinetic parameters

1. Creating model of two stages in parallel (the model of full autocatalysis)

Stage 1 – of N-order type

Stage 2 - Proto


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Data that should be assigned:

1. Model structure

2. “Elementary” models for stages

3. Kinetic parameters

1. Creating model of two stages in parallel (the model of full autocatalysis)

Stage 1 – of N-order type

Stage 2 - Proto


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Data that should be assigned:

1. Model structure

2. “Elementary” models for stages

3. Kinetic parameters

1. Creating model of two stages in parallel (the model of full autocatalysis)

Stage 1 – of N-order type

Stage 2 - Proto


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Model created with the kinetic parameters for the second stage defined

Data that should be assigned:

1. Model structure

2. “Elementary” models for stages

3. Kinetic parameters


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Kinetic parameters for the first stage have been defined

Data that should be assigned:

1. Model structure

2. “Elementary” models for stages

3. Kinetic parameters


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Evaluating critical parameters of thermal explosion by using the “Effect of controls” option

1. Adjusting time interval for simulation


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Note that max temperature rise (overheat) at initial environment T=60 C is very small. Next step is to elevate env. temperature


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

At Tenv=75 C overheat becomes much bigger. Continue to elevate Tenv till reaching explosion


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

There is pronounced thermal explosion at Tenv~77.5 C. More precise value can be obtained by varying Tenv with smaller step


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Simulation of thermal explosion in the drum


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

Add simulated responses to be saved within the project


Fork tutorial exercise 2 creating new simulation project to estimate explosion hazard

The 2st Exercise is over.

Press [Esc] to close presentation.

If you have ForK installed we recommend to repeat this exercise by yourself.

Now the complete project can be saved into a data volume for further use


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