ThermoFun: A C++/Python library for computing standard thermodynamic properties of substances and reactions across wide ranges of temperatures and pressuresG. Miron, A. Leal, S. Dmytrieva, D. Kulik2023 Peer-ReviewedJournal of Open Source Software 8 URLDOI: 10.21105/joss.04624[Cite]View Abstract
Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium CalculationsA. Leal, S. Kyas, D. Kulik, M. Saar2020 Peer-ReviewedTransport in Porous Media 133, 161-204 URLDOI: 10.1007/s11242-020-01412-1[Cite]View Abstract
An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modelingA. Leal, D. Kulik, W. Smith, M. Saar2017 Peer-ReviewedPure and Applied Chemistry 89, 597-643 URLDOI: 10.1515/pac-2016-1107[Cite]View Abstract
Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculationsA. Leal, D. Kulik, G. Kosakowski2016 Peer-ReviewedAdvances in Water Resources 88, 231-240 URLDOI: 10.1016/j.advwatres.2015.11.021[Cite]View Abstract
Computational methods for reactive transport modeling: An extended law of mass-action, xLMA, method for multiphase equilibrium calculationsA. Leal, D. Kulik, G. Kosakowski, M. Saar2016 Peer-ReviewedAdvances in Water Resources 96, 405-422 URLDOI: 10.1016/j.advwatres.2016.08.008[Cite]View Abstract
Enabling Gibbs energy minimization algorithms to use equilibrium constants of reactions in multiphase equilibrium calculationsA. Leal, D. Kulik, M. Saar2016 Peer-ReviewedChemical Geology 437, 170-181 URLDOI: 10.1016/j.chemgeo.2016.05.029[Cite]View Abstract
