Ella M. Smith

Equilibrium Solubility and Solution Structure of Paracetamol: A Molecular Dynamics Study Spanning Four Orders of Magnitude in Diverse Pure Solvents

Molecular dynamics simulations are used to investigate the equilibrium solubility and solution structure of paracetamol (or acetaminophen) in water, ethanol, acetone, diethylamine, dimethylformamide, dimethyl sulfoxide, toluene, and cyclohexane. A rigorous thermodynamic framework relates the solution‐phase concentratio...