packing2porenet 0.1.2

Python package to compute pore network based on given particle packing

packing2porenet

Python package to compute pore network based on given particle packing.

Overview

Computes pores and throats and their properties based on given packing.

spherical pores from spherical packing

Firstly, the weighted (also denoted as regular) Voronoi tesselation is done based on the input spherical packing. Weights are spheres' radii.

From the weighted Voronoi tesselation, Delaunay tetrahedralization is determined, resulting in the set of tetrahedrons and their connectivity.

Pores are assigned for each Delaunay tetrahedron. Size and position of the pore is assigned as an inscribed spheres between the four "vertex" spheres.

Throats between pores are assigned radius equal to circle in face plane and inscribed between three "vertex" spheres.

It is possible to merge overlapping pores. Then the new pore is such that:

• volume is equal to the volume of spheres union
• position is weighted average of positions, with weights being input volumes Throats related to merged pores has radius such that the area of new throat is equal to the area of both merged throats.

Usage

Example

from packing2porenet import Sphere, Voronoi, PoreNetwork, export, ymport

# testing sphere pack
spheres = (
    Sphere((0.00, 0.00, 0.00), 1.00),
    Sphere((2.10, 0.10, 0.05), 1.20),
    Sphere((4.05, 0.20, 0.10), 1.10),
    Sphere((1.15, 2.15, 0.15), 1.15),
    Sphere((3.05, 2.05, 0.05), 1.05),
    Sphere((2.10, 4.20, 0.10), 1.25),
    Sphere((1.05, 1.05, 2.10), 1.00),
    Sphere((3.15, 1.10, 2.20), 1.10),
    Sphere((2.05, 3.10, 2.05), 1.20),
    Sphere((2.10, 2.15, 4.10), 1.15),
)

# pore network
export.spheres2vtk(spheres, "vtk-packing")
voro = Voronoi(spheres)
export.network2vtk(voro, "vtk-voro")
network = PoreNetwork().fromVoronoi(voro)
export.spheres2vtk([pore.asSphere() for pore in network.cells], "vtk-pores")
export.network2vtk(network, "vtk-throats")
network.mergeIntersectingPores()
export.spheres2vtk([pore.asSphere() for pore in network.cells], "vtk-pores-merged")
export.network2vtk(network, "vtk-throats-merged")

Compatibility

Tested on Ubuntu 18.04 LTS and Python 3.6

Installation

1. Using pip

   python3 -m pip install packing2porenet

2. Using make (calls python3 -m pip install ., i.e. option 3, internally):

   make install

3. Using pip locally

   python3 -m pip install .

Contribution

Merge Requests

Are welcome

Bug reporting

In case of any question or problem, please leave an issue at the GitLab page of the project.

Contributors

• Jan Stránský

License

This project is licensed under the MIT License - see the license file for details.

TODO

• documentation
• tests
• periodicity
• other shapes
• other properties and functionality