catalytic-reactors

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.

Projects to model the catalytic combustion of a hydrogen-oxygen system flowing through a 1D plug flow reactor and a 2D rectangular reactor.

Physics-constrained ML surrogates for a CO2-to-methanol reactor: cleaning noisy plant logs (simulated with a kinetic model), exact mass balances and equilibrium limits that keep errors low outside the training range, and an optimiser for operating points.