☢️ X-Ray Water Interaction Simulator

Monte Carlo simulation of absorption, scattering, and radiolysis

Simulation Parameters
30 keV
5 cm
25°C
Quick Results
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Absorbed %
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Scattered %
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Transmitted %
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ROS (mol/L)

Beer-Lambert Law

X-ray attenuation follows the exponential decay law:

I(x) = I₀ × exp(-μ × x)

Where μ is the total linear attenuation coefficient (cm⁻¹), combining photoelectric absorption and scattering contributions.

Interaction Cross-Sections

Data from NIST XCOM database. The total mass attenuation coefficient includes:

  • Photoelectric: Dominant at low energies (< 30 keV)
  • Compton: Dominant at medium energies (30-100 keV)
  • Rayleigh: Coherent elastic scattering

Radiolysis G-Values

Radiation chemical yields expressed as molecules per 100 eV of absorbed energy:

Species G-Value Reference
OH• (hydroxyl) 2.7 Buxton et al., 1988
e⁻aq (solvated electron) 2.6 Buxton et al., 1988
H• (hydrogen atom) 0.6 Buxton et al., 1988
H₂O₂ 0.7 Buxton et al., 1988
H₂ 0.45 Buxton et al., 1988
HO₂• 0.02 Spinks & Woods, 1990

Compton Scattering Energy

The Klein-Nishina formula describes the angular distribution of scattered photons:

E' = E / (1 + (E/511)(1 - cosθ))

Where E is incident energy (keV), E' is scattered energy, and θ is scattering angle.

X-ray photon
Photoelectric absorption
Compton scatter
OH• radical
e⁻aq
Model Validation Against Published Data

Validation References

  • NIST XCOM: Photon Cross-Sections Database (Berger et al.)
  • Buxton et al., 1988: Critical review of rate constants for reactions of hydrated electrons
  • Spinks & Woods, 1990: Introduction to Radiation Chemistry
  • Hubbell & Seltzer, 1995: NIST Standard Reference Database 126