F. Hao

Prediction of Density and Viscosity of Supercritical CO2-Expanded Lactate Esters for Pharmaceutical Extraction from Water Using Molecular Dynamics Simulation, Thermodynamic Modeling, and Machine Learning Study

Supercritical CO2-expanded lactate esters (CXLEs) are tunable, green solvents for separation applications. However, required thermophysical data on density and viscosity across the homologous series remain scarce. A multiscale computational framework integrating the Peng-Robinson equation of state (PR EoS), molecular...