Screening of metal complexes and organic solvents using the COSMOSAC-LANL model to enhance the energy density in a non-aqueous redox flow cell: an insight into the solubility.
Karmakar A, Mukundan R, Yang P, Batista ER.
Karmakar A, et al. Among authors: mukundan r.
Phys Chem Chem Phys. 2021 Sep 29;23(37):21106-21129. doi: 10.1039/d1cp02591k.
Phys Chem Chem Phys. 2021.
PMID: 34523634
We have used the "COSMOSAC-LANL" activity coefficient model (A. Karmakar, R. Mukundan, P. Yang and E. R. Batista, RSC Adv., 2019, 18506-18526; A. Karmakar and R. Mukundan, Phys. Chem. Chem. Phys., 2019, 19667-19685) which is based on first-princ …
We have used the "COSMOSAC-LANL" activity coefficient model (A. Karmakar, R. Mukundan, P. Yang and E. R. Batista, RSC A …