Stabilising Effects of Lumped Integration Schemes for the Simulation of Metal-Electrolyte Reactions

Computational modelling of metal-electrolyte reactions is central to the understanding and prediction a wide range physical phenomena, yet this often challenging owing presence numerical oscillations that arise due dissimilar reaction rates. The ingress hydrogen into metals paradigmatic example technologically-relevant phenomenon whose simulation compromised by stiffness terms, as rates vary over orders magnitude significantly limits time increment size. In work, we present lumped integration scheme for electro-chemical interface does not suffer from oscillations. integrates in consistent manner, while it also decouples neighbouring nodes allows larger increments be used without or convergence issues. stability potential our demonstrated simulating rate constants environmental conditions. While previous uptake predictions were limited scales minutes, enables conducting simulations tens years, allowing us reach steady state conditions quantify relevant practical applications.