OpenCCM: An Open-Source Continuous CompartmentalModelling Package

The Journal of Open Source Software2024Vol. 9(102), pp. 6963–6963

Alexandru Andrei Vasile, Matthew Peres Tino, Yuvraj Aseri, Nasser Mohieddin Abukhdeir

Abstract

OpenCCM is a compartmental modelling (Jourdan et al., 2019) software package based on recently developed fully automated flow alignment compartmentalization methods (Vasile et al., 2024).It is primarily intended for large-scale flow-based processes with weak coupling between composition changes, e.g., through (bio)chemical reactions, and convective mass transport in the system.Compartmental modelling is an important approach used to develop reduced-order models (Benner et al., 2020;Chinesta et al., 2017) using a priori knowledge of process hydrodynamics (Jourdan et al., 2019).Compartmental modelling methods, such as those implemented in OpenCCM, enable simulations of these processes with far less computational complexity while still capturing the key aspects of process dynamics.OpenCCM integrates with two multiphysics simulation software packages, OpenCMP (Monte et al., 2022) and OpenFOAM (Greenshields, 2024), allowing for ease of transferring simulation data for compartmentalization. Additionally, it provides users with built-in functionality for computing residence times and exporting for use in other simulation or visualization software, including ParaView (Ayachit, 2015).Post-processing methods are included for mapping simulation results from compartment domains to the original simulation domain, which are useful for visualization purposes and for further simulations in using other software (e.g., multi-scale modelling).

Abstract

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