Biography:

One of their most recent publications is Estimation of MOSCED parameters from the COSMO-SAC database. Which was published in journal Fluid Phase Equilibria.

More information about Marshall Gnap research including statistics on their citations can be found on their Copernicus Academic profile page.

Marshall Gnap's Articles: (1)

Estimation of MOSCED parameters from the COSMO-SAC database

Highlights•MOSCED offers intuitive insights and provides accurate characterization of infinite dilution activity coefficients.This work extends MOSCED from 133 to1300 compounds through predictions using a free public DFT database.•Integrals over portions of the σ-profiles provide a basis for correlating acidity, basicity, and polarity.•Predictive correlations minimized logarithmic deviations for 4368 binary solution infinite dilution activity coefficients.•Deviations were: 0.106, 0.183, 0.318, 0.444, 0.596, 0.947 for MOSCED, UNIFAC, PMOSCED, COSMO-SAC, PSSCED, RST respectively.

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