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An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modeling
Leal, A. M. M., Kulik, D. A., Smith, W. R., & Saar, M. O. (2017). An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modeling. Pure and Applied Chemistry, 89(5), 597-643. https://doi.org/10.1515/pac-2016-1107
Computational methods for reactive transport modeling: a Gibbs energy minimization approach for multiphase equilibrium calculations
Leal, A. M. M., Kulik, D. A., & Kosakowski, G. (2016). Computational methods for reactive transport modeling: a Gibbs energy minimization approach for multiphase equilibrium calculations. Advances in Water Resources, 88, 231-240. https://doi.org/10.1016/j.advwatres.2015.11.021
GEMSFIT: a generic fitting tool for geochemical activity models
Hingerl, F. F., Kosakowski, G., Wagner, T., Kulik, D. A., & Driesner, T. (2014). GEMSFIT: a generic fitting tool for geochemical activity models. Computational Geosciences, 18(2), 227-242. https://doi.org/10.1007/s10596-014-9405-3