The first public release of SimpleBox4.0 nano (beta) is now available for download. The spreadsheet model and its documentation files are freely available for non-commercial use. These can be found on www.rivm.nl/simplebox.
SimpleBox4.0-nano is based on the SimpleBox model which is a multimedia mass balance model of the so-called ‘Mackay type’. It simulates environmental fate of chemicals as fluxes (mass flows) between a series of well-mixed boxes of air, water, sediment and soil on regional, continental and global spatial scales. SimpleBox is a first-principles model in the sense that it internally derives mass flow rates from physical and chemical substance properties, and characteristics of the environment modeled. It takes user-specified release rates as input, producing exposure concentrations in the environment as output.
Fit for nano!
Documentation on the model definition that is added to simplebox to include the three particulate chemical species and make the model fit for nano has been published [link]. The main input parameters related to nanomaterial fate are the size and density of the nanomaterial, the size, density and concentration of natural particles and the transformation rates from emitted nanomaterial to the heteroagglomerate or dissolved species. A probabilistic analysis of the model definition was recently published [link].
Read more on the dedicated web page.