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The PorosityPlus code can be used to calculate the surface area, volume and pore size distribution (PSD) of particle networks. These particles can be multiscale ranging from atoms, to nanoparticles to grains with the assumption that they can be modelled by spheres. It works on multi-frame xyz movies with up to 10 particle types defined by different... more particle type pair cutoff distances. Applied to gas adsorption studies, these particles can model atoms and the Monte Carlo routine uses a spherical probe useful for simulating pore accessibility of gases like helium and argon. less
Simulation and Modelling
pore size distribution
CSIRO Open Source Software Licence (Based on MIT/BSD Open Source Licence)
Opletal, George; Barnard, Amanda (2018): PorosityPlus. v1. CSIRO. Software Collection.
All Rights (including copyright) CSIRO 2018.
The metadata and files (if any) are available to the public.
MMM Research & Applications
Molecular modelling software development and maintenance
Software produced by the DATA61 Molecular and Materials Modelling Team
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