Chemical reaction network and systems biology interface for scientific machine learning (SciML). High performance, GPU-parallelized, and O(1) solvers in open source software.
Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling catalytic reactors has never been so easy.
CEA computes the equilibrium composition of mixtures via free-energy minimization, and uses the resulting product concentrations to determine thermodynamic and transport properties. It includes a large database of species with thermodynamic curve-fit data, and can be used for rocket performance, detonation parameters, and shock-wave analysis.
DLBFoam: An open-source dynamic load balancing model for fast reacting flow simulations in OpenFOAM. https://doi.org/10.1016/j.cpc.2021.108073, https://doi.org/10.1063/5.0077437
