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Implementation of Charged Particles
Deposition in Stochastic Lung Model and
  Calculation of Enhanced Deposition

           Dr. Hussain Majid




                                          1
This presentation will cover

• Background of the study
• Overview of the published work
• Conclusions




                                     2
Background
    Aerosols
• A system of solid or liquid particles   Dust      Smoke
  suspended in air or other gaseous
  environment called aerosol.
    Types
                                          Fume       Mist
    Natural Aerosol
    - Soil Dust
    - Sea Salt
    - Volcanic Dust                       Clouds   Pesticides
    - Oceanic Sulphates
    Anthropogenic Aerosol
    - Industrial Sulphates
    - Soot (Black carbon)
    - Organic particles
                                                                3
Charged Particles
• The Boltzmann equilibrium charge distribution represents the
  charged distribution of an aerosol in charge equilibrium with
  bipolar ions surrounding it.
• Freshly generated aerosols in workplace atmosphere may have
  charges well above the Boltzmann equilibrium (Forsyth et al.
  1998) .
• Aerosols produced by commercial metered dose inhalers can
  produce elementary charges up to several ten thousands (Kwok
  et al. 2005).
• In-vivo experimental studies have shown that lung deposition of
  particles is significantly effected by particle charges (Yu and
  Chandra 1977, Cohen et al. 1998).
• The significance of charged particles deposition may be of more
  concern for aerosol therapy than for inhalation toxicology.
                                                                    4
Lung deposition calculations-Importance
• Evaluating the efficiency of dose
  deliverance i.e. how much and how long
  will particles remain in the lung.
• Assessing toxic effects of airborne
  pollutant depositing in certain regions of
  the lung.
• Estimation for the location of potentially
  induced cancer due to exposure in
  radiation environment.




                                               5
Deposition Fraction

Original aerosol                Aerosol inhale   DF =

                     Inhaling

  Deposition fraction is the ratio on aerosol inhaled to the total
  aerosol deposit in the lung. This is affected by the entry
  point, the orientation of the flow to the entry point, the flow
  rate and particle size.
Human Lung
Head airway (HA)
Air is inspired through nose or mouth
down to larynx and rest of the lung.
Tracheaobronchial (TB)
Bronchial tree is the first part of the
lung. This part directs air in to the lung
Each branch in the tree splits into 2
parts
                     Parent Branch
   Bifurcation



Major daughter        Minor daughter
Alveolar or Pulmonary (Al)
Alveoli are located at the end of the
bronchial tree and is region where gas
exchange occurs.                               7
Lung deposition mechanisms
   Major:
   • Diffusion
   • Sedimentation
   • Inertial Impaction
   Minor:
   • Interception
   • Electrostatic

Naso-pharyngeal:
impaction, sedimentation, electrostatic
(particles > 1 μm)
Tracheo-bronchial:
impaction, sedimentation, diffusion
(particles < 1 μm)
Pulmonary:
sedimentation, diffusion (particles < 0.1 μm)   9
Factors that effect deposition
1. Aerosol properties
•   Size distribution (MMD, AMD. etc)
•   Concentration
•   Particle hygroscopicity
•   Gas particle interaction
•   Chemical reaction
•   Particle surface charge                                        Particle properties

8. Air flow properties
•   Lung capacity
•   Breathing frequency
•   Tidal Volume
12.Respiratory tract
•   Structure of the extrathorcic region
•   Lung structure and morphology
•   Models used: Weibel, Raabe, and Horsfield

                                         Numbering scheme of asymmetric lung model of Raabe et al. (1974).

                                                                                                   10
Stochastic Lung Dosimetry Model- IDEAL
• Deposition fractions and distribution within airways generations
  are modeled by the stochastic lung model-IDEAL
• Particles inhaled follow random path in the lung
    – Random selection of actual path out of millions of possible pathway by tracing
      histories of a large number of particles
• The model uses asymmetric nature of branching pattern of the
  lung.
    – Variability of lenghts and diameter of airways are described by log-normal
      frequency distributions
• Analytical (deterministic) formulas are used for computing deposition
  by diffusion, sedimentation and impaction
• Monte Carlo process continues even after deposition of particles within
  a given airway by decreasing the statistical weight of particles

                                                                                       11
Objectives of the study
1. to implement charge particle deposition in the stochastic
   human lung model (TB and Al regions),
2. to predict enhanced deposition for various charged particle at
   airway generation level and to compare results with previous
   studies
3. to quantify the breathing effects on charged particle
   deposition and
4. to calculate enhancement factors for various breathing
   conditions.
Charged Particles deposition Model
Tracheobronchial (TB) region
•   Enhanced deposition in TB region is obtained by implementing the following
    efficiency equation:                     1/ 2
                                 8B        
                                 πε d 3 t0  ( q − q0 )
                           ηq =            
                                 0 t 
    where B is the mechanical mobility of the particles, t0 is the is the mean
    residence time, εo is the electric permittivity of air.
Alveolar (Al) region
•   For the spherical shaped Al region, enhanced deposition is calculated by
    implementing the following                      1/ 3
                                      1  5Bq   2
                                ηq =       
                                            πε t0 
                                                   
                                     d alv    0   
    where t0 is the particles mean residence time [in sec].
                                                                                 13
Results
• Particle sizes
   – Unit density monodisperse charge particles of 0.3, 0.6 and 1 µm diameter.
• Flow rates
   – For sitting and light exercise conditions 18 and 50 L min-1 respectively
     (ICRP 1994).
• Tidal volumes
   – 750 and 1250 mL and breathing cycle times are 5 and 3s respectively.
• The effect of breath-hold
   – 2-8 Seconds
• Threshold charge limit
   – The enhanced deposition due to particle charges q is considered
     proportional to increase in threshold charge limit (q – q0).


                                                                                14
Results (continued..)




Enhanced deposition in TB and Al regions as function of loaded
particle charges. Deposition is calculated for different particle sizes
at oral tidal volume of 1000 cm3 and 15 breaths per minute (Flow
rate of 30 L min-1).                                                      15
Results (continued..)




Enhanced deposition of 0.6 µm     The effect of breath hold times on
particles in the lung airway      charged particle deposition for 1.0
generations at various particle   µm size particles and 100
charge loading.                   elementary charges.              16
Results (continued..)




Enhanced deposition within the TB and Al regions as function of
particle charge loading. The deposition is calculated for different
particle sizes under sitting (tracheal flow rate 18 L min-1) and light
exercised (Flow rate 50 L min-1) breathing conditions.                 17
Results (continued..)




Enhanced deposition within the TB and Al regions as function of
loaded particle charges at various tidal volumes. The deposition is
calculated for different particle sizes and fixed breathing frequency of
15 min-1.
                                                                      18
Results (continued..)
   Enhancement factors
Conclusion
• The enhanced deposition of charged particles in the Al region is
  up to five times higher than in the TB region and reaches a
  saturation level.
• Within the TB-region, enhanced deposition is higher under
  sitting breathing than under light exercise breathing conditions.
• The enhanced deposition increases with increase in VT and flow
  rate in Al region.
• The introduction of pause time during inhalation increases the
  probability of increased enhanced deposition at targeeted
  loaction of the respiratory tract.
• Hence, by introducing charged particles during inhalation,
  further control on targeted deposition in the respiratory tract is
  possible in addition to the already applied modulation of
  breathing and aerosol parameters.
Implementation of Charged Particle Deposition in Stochastic Lung Model

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Implementation of Charged Particle Deposition in Stochastic Lung Model

  • 1. Implementation of Charged Particles Deposition in Stochastic Lung Model and Calculation of Enhanced Deposition Dr. Hussain Majid 1
  • 2. This presentation will cover • Background of the study • Overview of the published work • Conclusions 2
  • 3. Background  Aerosols • A system of solid or liquid particles Dust Smoke suspended in air or other gaseous environment called aerosol.  Types Fume Mist  Natural Aerosol - Soil Dust - Sea Salt - Volcanic Dust Clouds Pesticides - Oceanic Sulphates  Anthropogenic Aerosol - Industrial Sulphates - Soot (Black carbon) - Organic particles 3
  • 4. Charged Particles • The Boltzmann equilibrium charge distribution represents the charged distribution of an aerosol in charge equilibrium with bipolar ions surrounding it. • Freshly generated aerosols in workplace atmosphere may have charges well above the Boltzmann equilibrium (Forsyth et al. 1998) . • Aerosols produced by commercial metered dose inhalers can produce elementary charges up to several ten thousands (Kwok et al. 2005). • In-vivo experimental studies have shown that lung deposition of particles is significantly effected by particle charges (Yu and Chandra 1977, Cohen et al. 1998). • The significance of charged particles deposition may be of more concern for aerosol therapy than for inhalation toxicology. 4
  • 5. Lung deposition calculations-Importance • Evaluating the efficiency of dose deliverance i.e. how much and how long will particles remain in the lung. • Assessing toxic effects of airborne pollutant depositing in certain regions of the lung. • Estimation for the location of potentially induced cancer due to exposure in radiation environment. 5
  • 6. Deposition Fraction Original aerosol Aerosol inhale DF = Inhaling Deposition fraction is the ratio on aerosol inhaled to the total aerosol deposit in the lung. This is affected by the entry point, the orientation of the flow to the entry point, the flow rate and particle size.
  • 7. Human Lung Head airway (HA) Air is inspired through nose or mouth down to larynx and rest of the lung. Tracheaobronchial (TB) Bronchial tree is the first part of the lung. This part directs air in to the lung Each branch in the tree splits into 2 parts Parent Branch Bifurcation Major daughter Minor daughter Alveolar or Pulmonary (Al) Alveoli are located at the end of the bronchial tree and is region where gas exchange occurs. 7
  • 8.
  • 9. Lung deposition mechanisms Major: • Diffusion • Sedimentation • Inertial Impaction Minor: • Interception • Electrostatic Naso-pharyngeal: impaction, sedimentation, electrostatic (particles > 1 μm) Tracheo-bronchial: impaction, sedimentation, diffusion (particles < 1 μm) Pulmonary: sedimentation, diffusion (particles < 0.1 μm) 9
  • 10. Factors that effect deposition 1. Aerosol properties • Size distribution (MMD, AMD. etc) • Concentration • Particle hygroscopicity • Gas particle interaction • Chemical reaction • Particle surface charge Particle properties 8. Air flow properties • Lung capacity • Breathing frequency • Tidal Volume 12.Respiratory tract • Structure of the extrathorcic region • Lung structure and morphology • Models used: Weibel, Raabe, and Horsfield Numbering scheme of asymmetric lung model of Raabe et al. (1974). 10
  • 11. Stochastic Lung Dosimetry Model- IDEAL • Deposition fractions and distribution within airways generations are modeled by the stochastic lung model-IDEAL • Particles inhaled follow random path in the lung – Random selection of actual path out of millions of possible pathway by tracing histories of a large number of particles • The model uses asymmetric nature of branching pattern of the lung. – Variability of lenghts and diameter of airways are described by log-normal frequency distributions • Analytical (deterministic) formulas are used for computing deposition by diffusion, sedimentation and impaction • Monte Carlo process continues even after deposition of particles within a given airway by decreasing the statistical weight of particles 11
  • 12. Objectives of the study 1. to implement charge particle deposition in the stochastic human lung model (TB and Al regions), 2. to predict enhanced deposition for various charged particle at airway generation level and to compare results with previous studies 3. to quantify the breathing effects on charged particle deposition and 4. to calculate enhancement factors for various breathing conditions.
  • 13. Charged Particles deposition Model Tracheobronchial (TB) region • Enhanced deposition in TB region is obtained by implementing the following efficiency equation: 1/ 2  8B   πε d 3 t0  ( q − q0 ) ηq =    0 t  where B is the mechanical mobility of the particles, t0 is the is the mean residence time, εo is the electric permittivity of air. Alveolar (Al) region • For the spherical shaped Al region, enhanced deposition is calculated by implementing the following 1/ 3 1  5Bq  2 ηq =   πε t0   d alv  0  where t0 is the particles mean residence time [in sec]. 13
  • 14. Results • Particle sizes – Unit density monodisperse charge particles of 0.3, 0.6 and 1 µm diameter. • Flow rates – For sitting and light exercise conditions 18 and 50 L min-1 respectively (ICRP 1994). • Tidal volumes – 750 and 1250 mL and breathing cycle times are 5 and 3s respectively. • The effect of breath-hold – 2-8 Seconds • Threshold charge limit – The enhanced deposition due to particle charges q is considered proportional to increase in threshold charge limit (q – q0). 14
  • 15. Results (continued..) Enhanced deposition in TB and Al regions as function of loaded particle charges. Deposition is calculated for different particle sizes at oral tidal volume of 1000 cm3 and 15 breaths per minute (Flow rate of 30 L min-1). 15
  • 16. Results (continued..) Enhanced deposition of 0.6 µm The effect of breath hold times on particles in the lung airway charged particle deposition for 1.0 generations at various particle µm size particles and 100 charge loading. elementary charges. 16
  • 17. Results (continued..) Enhanced deposition within the TB and Al regions as function of particle charge loading. The deposition is calculated for different particle sizes under sitting (tracheal flow rate 18 L min-1) and light exercised (Flow rate 50 L min-1) breathing conditions. 17
  • 18. Results (continued..) Enhanced deposition within the TB and Al regions as function of loaded particle charges at various tidal volumes. The deposition is calculated for different particle sizes and fixed breathing frequency of 15 min-1. 18
  • 19. Results (continued..) Enhancement factors
  • 20. Conclusion • The enhanced deposition of charged particles in the Al region is up to five times higher than in the TB region and reaches a saturation level. • Within the TB-region, enhanced deposition is higher under sitting breathing than under light exercise breathing conditions. • The enhanced deposition increases with increase in VT and flow rate in Al region. • The introduction of pause time during inhalation increases the probability of increased enhanced deposition at targeeted loaction of the respiratory tract. • Hence, by introducing charged particles during inhalation, further control on targeted deposition in the respiratory tract is possible in addition to the already applied modulation of breathing and aerosol parameters.