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20092021
most citedPredicting Solvation Free Energies in Non-Polar Solvents using Classical Density Functional Theory based on the PC-SAFT equation of state

10 citations · 25 across the 6 of their papers we have counts for

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cond-mat.stat-mech2021

Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations

Christopher Kessler, Johannes Eller, Joachim Gross +1

A classical density functional theory (cDFT) based on the PC-SAFT equation of state is proposed for the calculation of adsorption equilibria of pure substances and their mixtures i…