Pratik Dhakal

发表

Using limiting activity coefficients to efficiently evaluate the ability of fixed-charge force fields to model miscible water plus cosolvent mixtures

Andrew S. Paluch, Garrett E. Long, Pratik Dhakal, 2018, Molecular Simulation.

Recent advances in molecular simulations of ionic liquid–ionic liquid mixtures

J. Shah, Pratik Dhakal, 2019, Current Opinion in Green and Sustainable Chemistry.

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

Andrew S. Paluch, Pratik Dhakal, Sydnee N. Roese, 2018 .

Comparative Study of Influence of Ethanol and 2,2,2-Trifluoroethanol on Thermophysical Properties of 1-Ethyl-3-methylimidazolium Dicyanamide in Binary Mixtures: Experimental and MD Simulations

U. Fatima, J. Shah, Riyazuddeen, 2020 .

Expanding the Solubility Parameter Method MOSCED to Pyridinium-, Quinolinium-, Pyrrolidinium-, Piperidinium-, Bicyclic-, Morpholinium-, Ammonium-, Phosphonium-, and Sulfonium-Based Ionic Liquids

Andrew S. Paluch, Pratik Dhakal, Anthony R. Weise, 2020, ACS omega.

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

Andrew S. Paluch, Pratik Dhakal, Sydnee N. Roese, 2017, Fluid Phase Equilibria.

Advances in Monte Carlo Simulation of Ionic Liquids

J. Shah, Pratik Dhakal, 2022, Encyclopedia of Ionic Liquids.

Migration-assisted, moisture gradient process for ultrafast, continuous CO2 capture from dilute sources at ambient conditions

Naveen K. Dandu, Meenesh R. Singh, J. Shah, 2022, Energy & Environmental Science.

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

Andrew S. Paluch, Pratik Dhakal, Sydnee N. Roese, 2019, Journal of Molecular Liquids.

Developing Machine Learning Models for Ionic Conductivity of Imidazolium-Based Ionic Liquids

J. Shah, Pratik Dhakal, 2021, Fluid Phase Equilibria.

Revealing Hydrogen Bond Dynamics between Ion Pairs in Binary and Reciprocal Ionic Liquid Mixtures

J. Shah, Pratik Dhakal, Sudip Das, 2022, Journal of Molecular Liquids.

Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces

Andrea Volkamer, Jérémie Mortier, Pratik Dhakal, 2018, Molecules.

Thermodynamic Assessment of the Suitability of the Limiting Selectivity to Screen Ionic Liquid Entrainers for Homogeneous Extractive Distillation Processes

Andrew S. Paluch, Pratik Dhakal, Pratik Dhakal, 2018, ChemEngineering.

Correlating Pure Component Properties with MOSCED Solubility Parameters: Enthalpy of Vaporization and Vapor Pressure

Andrew S. Paluch, Pratik Dhakal, Sydnee N. Roese, 2023, ChemEngineering.

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

Andrew S. Paluch, Pratik Dhakal, Sydnee N. Roese, 2018 .

Mapping the frontier orbital energies of imidazolium-based cations using machine learning.

J. Shah, Pratik Dhakal, Wyatt Gassaway, 2023, The Journal of chemical physics.

Reply to the ‘Comment on “Migration-assisted, moisture gradient process for ultrafast, continuous CO2 capture from dilute sources at ambient conditions”’ by J. Casado, Energy Environ. Sci., 2022, 10.1039/D2EE00555G

Naveen K. Dandu, Meenesh R. Singh, J. Shah, 2022, Energy & Environmental Science.