Universal method unlocks entropy calculation for liquids
Osaka, Japan - A groundbreaking new method developed at The University of Osaka calculates the entropy of liquids using a non-empirical approach, requiring only the atomic species as input. This revolutionary technique eliminates the need for extensive experimental data, paving the way for enhanced predictions of chemical reactions and optimization of industrial applications involving liquids.
The researchers employed computational simulations based on fundamental physical principles (called density-functional theory in the technical term) to model atomic interactions within ...