Software

PorosityPlus

Commonwealth Scientific and Industrial Research Organisation
Opletal, George ; Barnard, Amanda
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=info:doi10.25919/5b8e0ffa8afaa&rft.title=PorosityPlus&rft.identifier=https://doi.org/10.25919/5b8e0ffa8afaa&rft.publisher=Commonwealth Scientific and Industrial Research Organisation&rft.description=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 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.&rft.creator=Opletal, George &rft.creator=Barnard, Amanda &rft.date=2018&rft.edition=v1&rft.relation=https://doi.org/10.1088/2515-7639/aada5f&rft_rights=CSIRO Open Source Software Licence (Based on MIT/BSD Open Source Licence) https://research.csiro.au/dap/licences/csiro-open-source-software-licence-based-on-mit-bsd-open-source-licence/&rft_rights=Data is accessible online and may be reused in accordance with licence conditions&rft_rights=All Rights (including copyright) CSIRO 2018.&rft_subject=porosity&rft_subject=pore size distribution&rft_subject=surface&rft_subject=Monte Carlo&rft_subject=pores&rft_subject=porous&rft_subject=nanoporous&rft_subject=Modelling and simulation&rft_subject=Artificial intelligence&rft_subject=INFORMATION AND COMPUTING SCIENCES&rft.type=Computer Program&rft.language=English Access the software
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CSIRO Open Source Software Licence (Based on MIT/BSD Open Source Licence)
https://research.csiro.au/dap/licences/csiro-open-source-software-licence-based-on-mit-bsd-open-source-licence/

Data is accessible online and may be reused in accordance with licence conditions

All Rights (including copyright) CSIRO 2018.

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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 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.

Available: 2018-09-04

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Subjects
Artificial Intelligence | Information and Computing Sciences | Modelling and Simulation | Monte Carlo | nanoporous | pore size distribution | pores | porosity | porous | surface |

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