Monte Carlo simulations

The Monte Carlo modeling method uses random numbers to explore configuration space and to derive statistically most favourable conformations or distributions, based for example on the energy variation or values of ENM attachment efficiencies. Monte Carlo simulations represent an important substitute when mathematical analytical solutions are not possible. In our case, upon collision, heteroaggregation between two particles is accepted based on the comparison of the corresponding attachment efficiency with a random number comprised between zero and one.  


Used for

Heteroaggregation rate calculation


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NanoFASE Report D7.2 Soil property - NM fate relationships and geographical distribution of possible NM transport distances in Europe

NanoFASE Report D8.6  Description of model framework for agglomeration and removal of NMs

Clavier, A., Praetorius, A., Stoll, S., 2019, Determination of nanoparticle heteroaggregation attachment efficiencies and rates in presence of natural organic matter monomers. Monte Carlo modelling. Science of the Total Environment, v. 650, p. 530-540.

Elimelech, M., Gregory, J., Jia, X., 2013. Particle deposition and aggregation: measurement, modelling and simulation. Butterworth-Heinemann.




Serge Stoll

Group of Environmental Physico

Chemistry, University of Geneva


Marianne Seijo

Group of Environmental Physico

Chemistry, University of Geneva