A fundamental equation of state expressed explicitly in the Helmholtz energy is presented
for R-1224yd (Z), an environmentally friendly refrigerant for centrifugal chillers, high …

Due to the damage they have caused to the ozone layer, first-generation refrigerants known
as chlorofluorocarbons have been phased out, and second-generation refrigerants known …

This study solves the radial Schrödinger wave equation (RSWE) with the improved Rosen–
Morse (IRM) potential constrained by an electromagnetic field. Energy eigenvalues are …

An extension of the SAFT-VR Mie equation of state is proposed to predict the properties of
multipolar fluids. The new model, referred to as multipolar M-SAFT-VR Mie, incorporates the …

The knowledge of the phase equilibrium of refrigerant mixtures is crucial for the optimization
of the production processes of refrigerant molecules, and the design of energetic systems …

An atom pair contribution (APC) model aimed at predicting the gas-phase formation
enthalpy (Δf H°) of molecules is reported. In contrast to bond contribution (BC) or group …

A statistical-thermodynamics-based group contribution (GC) method, commensurate with the
GC methodology used in SAFT-γ Mie, is proposed to model ideal heat capacities. Special …

Hydrofluoroethers (HFEs) represent a new generation of promising engineering fluids for
heat transfer or cleaning applications. In this work, quantum chemistry calculations (qcc) …

The prediction of thermochemical properties such as enthalpies of formation is of crucial
importance, both in research and industrial applications, especially for systems involving not …

The modelling of a detailed kinetics mechanism in the liquid phase is still not well
understood, and the description of solvent effect on reaction rates remains a challenge …