Sydnee N. Roese

Application of MOSCED To Predict Limiting Activity Coefficients, Hydration Free Energies, Henry’s Constants, Octanol/Water Partition Coefficients, and Isobaric Azeotropic Vapor–Liquid Equilibrium

Pratik Dhakal, Sydnee N. Roese, Erin M. Stalcup et al. · Journal of Chemical & Engineering Data · 2018 · 30 citations

Predicting Limiting Activity Coefficients and Phase Behavior from Molecular Structure: Expanding MOSCED to Alkanediols Using Group Contribution Methods and Electronic Structure Calculations

Pratik Dhakal, Sydnee N. Roese, Maria A. Lucas et al. · Journal of Chemical & Engineering Data · 2018 · 17 citations

Engineering, Computational Chemistry, Activity Coefficients +19

GC-MOSCED: A group contribution method for predicting MOSCED parameters with application to limiting activity coefficients in water and octanol/water partition coefficients

Pratik Dhakal, Sydnee N. Roese, Erin M. Stalcup et al. · Fluid Phase Equilibria · 2017 · 16 citations

Hydrogeology, Engineering, Water Resources +10

A Simple Method to Predict and Interpret the Formation of Azeotropes in Binary Systems Using Conventional Solvation Free Energy Calculations

Sydnee N. Roese, Griffin Margulis, Alexa J. Schmidt et al. · Industrial & Engineering Chemistry Research · 2019 · 13 citations

Chemical Thermodynamics, Engineering, Chemical Analysis +14

MOSCED parameters for 1-n-alkyl-3-methylimidazolium-based ionic liquids: Application to limiting activity coefficients and intuitive entrainer selection for extractive distillation processes

Pratik Dhakal, Jonathan A. Ouimet, Sydnee N. Roese et al. · Journal of Molecular Liquids · 2019 · 10 citations

Materials Science, Solid-state Ionic, Chemical Engineering +11