机译:Phase Equilibria and Condensed Phase Properties of Fluorinated Alkanes via First Principles Simulations
Mississippi State Univ, Dave C Swalm Sch Chem Engn, Mississippi State, MS 39762 USA;
Mississippi State Univ, Ctr Adv Vehicular Syst, Mississippi State, MS 39762 USA;
Ab initio calculations; Fluorinated alkanes; FPMC; Vibrational spectroscopy; VLE; VAPOR-LIQUID-EQUILIBRIA; FLUID CARBON TETRAFLUORIDE; AB-INITIO CALCULATIONS; MONTE-CARLO; ALTERNATIVE REFRIGERANTS; MOLECULAR-DYNAMICS; GIBBS ENSEMBLE; 1,1,1,2-TETRAFLUOROETHANE HFC-134A; THERMODYNAMIC PROPERTIES; TRANSFERABLE POTENTIALS;