The self-diffusion coefficient of pure liquids, a fundamental transport property, is involved in
a wide range of applications. Many methods have been employed to study the self-diffusion …

The assessment of heat capacity, or calorimetry, is critical to the development of fluids that
will cool electrified processes and systems, such as computing infrastructure, data centres …

In the present work, a multi-angle approach is adopted to develop two ML-QSPR models for
the prediction of the enthalpy of formation and the entropy of molecules, in their ideal gas …

Two QSPR models for the prediction of the critical temperature and pressure of cycloalkanes
were developed. Geometrical optimization and frequency analysis were carried out with …

In the context of carbon neutrality and carbon peaking, molecular management has become
a focus of the petrochemical industry. The key to achieving molecular management is …

This study presents a pioneering application of a novel quantitative structure-property
relationship (QSPR) model to predict the selectivity coefficients of a cation-selective …

Vapor pressure, heat of vaporization, and liquid heat capacity are linked through
fundamental thermodynamic relationships. These related properties are essential for the …