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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 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

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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


Select Simulation mode


Preliminary adjustment:

setting appropriate units


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


General data are ready


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)


60.1

60.0

59.9

50


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


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


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


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


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


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


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

1. Adjusting time interval for simulation


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


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


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


Simulation of thermal explosion in the drum


Add simulated responses to be saved within the project


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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