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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 TutorialExercise 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)

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


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ForK TutorialExercise 2 Creating new simulation project to 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



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



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 stage definedthe 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 the “Effect of controls” optionthat max temperature rise (overheat) at initial environment T=60 C is very small. Next step is to elevate env. temperature


At the “Effect of controls” option Tenv=75 C overheat becomes much bigger. Continue to elevate Tenv till reaching explosion


There is pronounced thermal explosion a the “Effect of controls” optiont Tenv~77.5 C. More precise value can be obtained by varying Tenv with smaller step


Simulation of thermal explosion in the drum the “Effect of controls” option


Add simulated responses to be saved within the project the “Effect of controls” option


The 2 the “Effect of controls” optionst 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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