Explosion Modeling Page 1 of 13

Explosion Modeling
1. Fundamentals of Explosions

What is explosion?
 An explosion is a rapid expansion of gases resulting in a rapidly moving
pressure or shock wave.
 Expansion can be mechanical or can be resulting from a rapid chemical
reaction.
 Explosion damage is caused by the pressure or shock wave.
 Explosions release energy rapidly and it can result from fires.

Effective Parameters:
 The type and the quantity of the flammable substance
 The time span from the onset of the leakage until the ignition.
 The configuration of the space where the leakage took place.
 The position and the number of ignition sources in relation to the place of leak.

Types of Industrial Explosions

1) Confined vapor cloud explosion (CVCE): An explosion in vessel or building.
It may be caused due to release of high pressure or chemical energy.
2) Vapor cloud explosion (VCE): An explosion caused by the instantaneous
burning of vapor cloud formed in air due to release of flammable chemical.
3) Boiling liquid expanding vapor explosion (BLEVE): Explosion caused due
to instantaneous release of large amount of vapor through narrow opening
under pressurized conditions.
4) Vented explosion (VE): Explosion due to high speed venting of chemical.
5) Dust explosion: Explosion resulted from the rapid combustion of fine solid
particles

Important terms
 Shock wave: An abrupt pressure wave (energy front) generated due to sudden
release of energy, which move in the medium.
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 Blast wave: A shock wave in open air generally followed by strong wind, the
combined shock and wind is called blast wave

 Overpressure: The pressure on an object as a result of an impacting shock

wave

 Deflagration: An explosion in which the reaction front (energy front) moves at

a speed less than the speed of the sound in the medium. (Reaction wave
speed < speed of sound).

 Detonation: An explosion in which the reaction front (energy front) moves at a

speed greater than the speed of the sound in the medium. (Reaction wave
speed > speed of sound).

Comparison of Behavior

Deflagration Detonation

 Reaction front moves at less than  Reaction front moves greater than
speed of sound. speed of sound.
 Pressure wave moves away from  Pressure wave is slightly ahead of
reaction front at speed of sound reaction front moving at same speed.
Pressure front
Reaction front

Reaction front
Shock front
Un-reacted
Ignition

Ignition
gases

 The pressure front resulting from a  The pressure fronts produced by

deflagration is characteristically wide
(many milliseconds in duration), flat
(without an abrupt shock front), and
with a maximum pressure much lower
than the maximum pressure for a
detonation (typically 1 or 2 atm).
detonations and deflagrations are
markedly different. A detonation
produces a shock front, with an abrupt
pressure rise, a maximum pressure of
greater than 10 atm, and total duration
of typically less than 1 millisecond.
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2. Vapor Cloud Explosion (VCE)

 The most dangerous and destructive explosions in the chemical process industries
 Mostly due to the overpressure (shock wave)
 Difficult to characterize

Simulation models
To simulate or predict the effects of vapor cloud explosions, the following types of
models are usually employed [Lea& Ledin2 002]:
a) Empirical analytic models that are usually based on a single curve (or family of
curves)of overpressure as a function of the distance with parameters like
– the part of the energy that is released as shock wave (TNT method),
– the strength of the explosion (Multi-Energy method), or
– the flame expansions peed( Baker-Strehlow method).
b) Numerical 3D CFD computer models of finite volumes which are usually based
upon
– Turbulent analysis( CFX, EXSIM, NEWT, REACFLOW, etc.), or
– Empirical relations ( FLACS, AutoReaGas, COBRA, etc.)

Cloud Expansion Mechanism

Stage 1: When the cloud ignites, the flame starts to propagate away from the point of
ignition, with a speed proportional to the developed overpressure. The flammable
mixture of gas-air is pushed in front of the flame. In this stage the flow of combustion
products can be considered as laminar.
Flame speed: 5-30 m/s.
Overpressure: very low.
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Stage 2: Because of the unstable nature of the flame and large turbulent eddies, a
wrinkled-frame front appears, resulting in an increase of the flame surface, thus an
increase in its burning rate and consequently its speed.
Deflagration.
Flame speed: 30-500 m/s.
Overpressure: up to 2-3 mbar.

Stage 3: The presence of obstacles in the flow results in a further increase of the
flame speed. The flow becomes turbulent, and the burning front is changed into a
zone where flammables and combustion products coexist. This surface increase
produces a further increase of the burning rate.
Deflagration.
Flame speed 500-1000 m/s.
Overpressure: up to 1 bar.

Stage 4: The flame speed continues to increase, and the reactive mixture in front of
the zone of turbulent combustion is subjected to compression and heat because of
mixing with combustion products. Hence, temperature higher than the self-ignition
point are reached, resulting in the creation of a shock wave.
Detonation.
Flame speed: up to 2200 m/s.
Overpressure: up to 20 bar.
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Stage 5: Chemical energy is transformed into mechanical energy via shock wave
(40%) transformation). The shock wave induces a drastic change in the properties of
the surrounding space (pressure, density, molecular velocity). These properties are
instantaneously increased (positive phase), then decreased with slower rates to
values lower than the ambient ones (negative phase), to return slowly afterwards to
their ambient values.

3. Equivalent TNT Mass Method

 Use to determine consequences at a specified location from an explosion

 The power of the vapor cloud explosion equates to an equivalent mass of TNT
(tri-nitrotoluene) that would produce the same explosive power
 Particularly easy to use and there is an abundance of data for the
characterization of TNT explosions
 Usually overestimate the effects of VCE due to significantly differences
between the explosions of TNT and VCE

TNT Equivalency Procedure:

1) Determine total mass of fuel (m) involved
2) Estimate explosion efficiency. (in general it varies from 1% to 15%)
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3) Determine energy of explosion (ΔHc) for the respective fuel

4) Calculate the equivalent mass of TNT (mTNT) using following equation
  m  H c
mTNT 
ETNT

ETNT is energy of explosion of TNT (= 4686 kJ/kg)

.

5) Determine scaled distance (Ze) using following equation

r
Ze 
mTNT 1/ 3

Where r is distance from the explosion site to the point of concern.

6) Use Figure 1 or following equation to determine over pressure
Po = Ps×Pa,
Where Ps is read from Figure 1 and Pa is atmospheric pressure
   Z 2  
 1616  1   e   
   4.5   
Po  Pa   .
 2 2 2 
 1   e   1   e   1   e 
Z Z Z

  0.048   0.32   1.35  
 
7) Estimate damage

Figure: Scaled pressure (Ps) estimation (Crowl, 1999)

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Table: Damage estimation Based on Overpressure

Overpressure Damage
(kpa)
0.28 Loud noise (143 dB) glass failure
0.69 Breakage of small windows
“Safe distance” (probability of 0.95 of no serious
2.07
damage below this value
3.4-3.6 Windows usually shatter, occasional damage to frame
4.8 Minor damage to house structure
6.9-13.8 Significant damage to structures (wood and asbestos)
15.8 Lower limit of serious structural damage
17.2 505 destruction of brickwork house
Cladding of light industrial building ruptures, oil tank
27.6
ruptures, 50% probability of human fatality
34.5-48.2 Nearly complete destruction of houses
62 Loaded train boxcars completely demolished
Probable total destruction of building, heavy
68.9
machinery

4. Multi-Energy Method

Assumes VCE is composed of a number of sub-explosions taking place inside specific

areas of the cloud, corresponding to the various sources of blast that exist in the
cloud.

Multi-Energy Method Procedure:

1) Estimate the dimensions of the cloud based upon the amount of leaked flammable
gas.
The volume V (m3) of the resulting vapor cloud (composed of flammable gas and air)
is calculated from the reaction's stoichiometry, from which the volume of the oxygen
required is obtained and therefore the volume of the required air.
In the case that the leaked fluid is in the liquid state (pool of flammable liquid), then the
liquid's evaporation rate must be multiplied with the time until the explosion, so as to
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obtain the total amount of vapor that participated in the development of the vapor
cloud. The radius of the resulting cloud R (m) is being considered as a hemisphere,
as:
3𝑉 1/3
𝑅=( )
2𝜋
2) Identify the obstructed regions
An obstructed region is a region of high density of obstacles (equipment, walls,
buildings, etc.) resulting in the increase of the spreading velocity of the cloud. The
space around the explosion's center is separated into obstructed and non-obstructed
regions. The cloud can only spread in the free space of every obstructed region (i.e.,
in between obstacles).
The distance X (m) between each new object and its previous one must satisfy two
conditions:
a) X < 25m
b) X< 10D1 or X< 1.5 D2
Where,
D1 (m), is the smallest dimension of the object on the plane perpendicular to the
direction of the flame's propagation
D2 (m), is the dimension of the object parallel to the direction of the flame's
propagation.
3) Calculate strength of explosion blast and overpressure
𝑃
The scaled over pressure: 𝑃𝑠′ = 𝑃𝑠
𝑎

𝐸
The scaled distance: 𝑟 ′ = 𝑥(𝑃 )−1/3
𝑎

Where,
Ps (MPa) denotes the overpressure caused by the explosion
Pa (MPa) the ambient pressure (= 0.1 MPa)
x (m) the distance from the center of the explosion
Ε (ΜJ) the total energy released by the explosion
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Figure: Scaled overpressure as a function of scaled distance, with parameter (values

1-10) the coefficient of strength of the explosion blast [Berg 1985].

4) Calculate the time duration of the explosion's positive phase

𝑡𝑝′ 𝐸 1/3
𝑡𝑝 = ( )
𝐶𝑠 𝑃𝑎
Where,
Pa (MPa) denotes the ambient pressure (= 0.1 MPa)
Ε (ΜJ), the total energy released,
Cs (m/s), the velocity of sound (= 340 m/s)
In every distance from the center of the explosion, a value of the duration of the
positive phase can be obtained from below figure.
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Figure: Duration of the positive phase, with parameter (values 1-10) the
coefficient of strength of the explosion blast [Berg 1985].

5. Boiling Liquid Expanding Vapor Explosion (BLEVE)

 Occurs in a vessel when the fluid stored is a gas at atmospheric pressure, but
liquid at higher pressure (e.g., liquefied propane).
 The absorbed heat causes boiling and increase of the internal pressure
 The released energy produces an intense shock wave, heat radiation and the
rocketing of fragments and even whole vessels.

Two types of BLEVE

 1-stage BLEVE: usually encountered when the pressure increase of the
enclosed gas (because of the external fire) is sufficient to create the initial crack
and destroy the vessel. In such cases, the vessel’s wall thickness is of the
order of 4 mm and the outflow gas velocity from the crack is about 15 m/s.
 2-stage BLEVE: gas is released from an initial small crack in the vessel’s wall.
The resulting pressure drop causes direct and intense boiling, release of large
quantities of vapors, and a consequent pressure increase and the explosion of
vessel. It is encountered in vessels with thicker walls and the outflow gas
velocity from the crack is about 1 m/s.
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6. Effect of explosions

The effects of an explosion on people and structures will be a function of

 the overpressure generated by the explosion and
 the positive phase duration.
The impulse is (MPa·s), relates the peak overpressure and the positive phase duration
as

𝑖𝑠 = ∫ (𝑃𝑠 (𝑡) − 𝑃𝑎 )𝑑𝑡

𝑡𝑝

Where,
Pa (MPa) denotes the ambient pressure
Ps (MPa) the peak overpressure
𝑡𝑝 (s) the positive phase duration

Figure: Simplified overpressure-time curves (Left one is shock wave)

The impulse approximately is given by:
1
𝑖𝑠 = 𝑃𝑠 𝑡𝑝
2
The probability P (-) of injury and death because of the explosion:
1 𝑃𝑟 − 5
𝑃= [1 + erf( )]
2 √2
Where the probit function. Pr (-) is given by:
𝑃𝑟 = 𝑐1 + 𝑐2 𝑙𝑛𝑆
Where S is defined according to the type of the effect, with corresponding values for
the coefficients c1 and c2.
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Effects on people
The effects from explosions on humans are usually divided into the following
categories:
1) Direct or primary effects
The overpressure from the explosion's blast, can cause injury to sensitive human
organs, or death
2) Indirect effects
- secondary effects refer to injuries or death caused by fragments or debris thrown by
explosion's blast, or
- tertiary effects that refer to injuries or death caused by whole-body displacement and
collision with stationary objects or structures, as a consequence of the explosion's
blast and the associated wind.
 Lung damage 𝑃𝑟 = 5.0 − 5.74𝑙𝑛𝑆
 Eardrum rupture 𝑃𝑟 = −12.6 + 1.524 𝑙𝑛𝑆
2.43×103 4×108
 Head impact 𝑃𝑟 = 5.0 − 8.49𝑙𝑛𝑆, 𝑤ℎ𝑒𝑟𝑒 𝑆 = +
𝑃𝑠 𝑃𝑠 𝑖𝑠

7.38×103
 Whole-body displacement impact 𝑃𝑟 = 5.0 − 2.44𝑙𝑛𝑆, 𝑤ℎ𝑒𝑟𝑒 𝑆 = +
𝑃𝑠

1.3×109
𝑃𝑠 𝑖𝑠

 Fragments and Debris

o For 0.01 ≤ 𝑚 ≤ 0.1 𝐾𝑔 𝑃𝑟 = −29.15 + 2.10ln(𝑚𝑢5.115)
1
o For 0.1 ≤ 𝑚 ≤ 4.5 𝐾𝑔 𝑃𝑟 = −17.65 + 5.30ln(2𝑚𝑢2 )

o For 𝑚 > 4.5 𝐾𝑔 𝑃𝑟 = −13.19 + 10.54ln(𝑢)

Where u (m/s) is the velocity of the fragment and m (Kg) is the mass of the
fragment.

Effects on structures
The calculation of the effects of the shock wave on buildings will be carried out with
the use of probit functions. The probability is obtained as a function of the peak
overpressure, Ps (Pa) of the explosion blast, and the impulse is 𝑖𝑠 (Pa·s).
40000 7.4 460 11.3
1) Building Collapse 𝑃𝑟 = 5.0 − 2.2𝑙𝑛𝑆, 𝑤ℎ𝑒𝑟𝑒 𝑆 = ( ) +( )
𝑃𝑠 𝑖𝑠
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17500 8.4 290 9.3

2) Major Structural Damage 𝑃𝑟 = 5.0 − 0.26𝑙𝑛𝑆, 𝑤ℎ𝑒𝑟𝑒 𝑆 = ( ) +( )
𝑃𝑠 𝑖𝑠
4600 3.9 110 5.0
3) Minor Damages 𝑃𝑟 = 5.0 − 0.26𝑙𝑛𝑆, 𝑤ℎ𝑒𝑟𝑒 𝑆 = ( ) +( )
𝑃𝑠 𝑖𝑠

4) Breakage of Window Panes 𝑃𝑟 = −16.58 + 2.53𝑙𝑛𝑃𝑠

References used in the lecture note:

1. American Institute of Chemical Engineers (AIChE), (2000). Guidelines for chemical
process quantitative risk analysis. Second Edition, New York: AIChE.
2. Crowl D.A., Louvar J.F. (2002). ”Chemical Process Safety, Fundamentals with
Applications – 2nd edition”, Upper Saddle River, N.J.: Prentice Hall PTR.
3. Assael, M. J., & Kakosimos, K., E. (2010). Fires, explosions, and toxic dispersions:
Effects calculations and risk analysis. New York: CRC Press Taylor & Francis
Group.