Current version in PARSCALE-PUBLIC git repository: PARSCALE 1.0.1-beta (released 31 December 2014)
Version 1.0.1-beta is the first public release of the ParScale library and is meant to introduce its features to a wide audience of users and possible developers of this library.
Specifically, the current version of ParScale is able to
- simulate heat and mass transport in one or multiple porous particles.
- perform calculations on an equi-distant spherical one-dimensional coordinate system, or using a simplified model for reactive transport (i.e., the Shrinking Core model)
- predict the outcome of a single non-isothermal irreversible (homogeneous or heterogeneous) chemical reaction (full coupling of temperature and species concentration fields) involving an arbitrary number of solid and gas-phase species.
- consider various "grain-scale models" to picture the formation of a product layer on solids present in the porous of a particle.
- couple with a JSON file (i.e., read data from a JSON file to simulate transient boundary conditions or model parameters), as well as a LIGGGHTS® simulation.
Test and verification cases, as well as documentation is supplied with ParScale. More test cases will be added step-by-step during the next years.
Note that ParScale is still under active development, and the success of ParScale relies to a large extend on contributions from users. Specifically, we plan to release
- modules to picture multiple reversible reactions that are specified by the user via CHEMKIN-II files,
- an improved version that uses orthogonal collocation methods for more efficient spatial discretization,
- refined sub-models for multi-component diffusion and temperature-dependent transport properties.
'beta' means, that this version of ParScale has been tested internally to some extend, and now seeks for testing and application by external groups (i.e., non TUG or DCS). Thus, while TUG and DCS have carefully tested ParScale, it is likely that users might find significant bugs, run into unexpected errors, or might miss information on how to use ParScale. We are greatful for any users feedback, which should be directed to the ParScale forum at http://www.cfdem.com/forum.