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Song-Lin Zhou

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Oct 2026

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...

Guo-Xiao Cai, Xu Tao, Wei Xiong et al. · 0 citations

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