RT Journal Article
T1 Thermodynamics of multipolar Kihara fluids. Results from Monte Carlo simulations and molecular discrete perturbation theory
A1 Trejos, Víctor M.
A1 Gámez Vázquez, Francisco
AB We present a systematic study of the vapor–liquid equilibria of prolate Kihara fluids embedding both dipole and quadrupole moments Monte Carlo simulations and perturbation theory methods. The agreement between both approaches is good and allows to shed light on some general features of molecular models whose distribution of charge can be modeled as a dipole plus a quadrupole moments. The validation of the equation of state does lead as a byproduct to a rapid, uncommon, and powerful instrument able to widen the frontiers of perturbation theory for molecular fluids and their mixtures.
PB Elsevier Science BV
SN 0009-2614
YR 2022
FD 2022-11-04
LK https://hdl.handle.net/20.500.14352/72693
UL https://hdl.handle.net/20.500.14352/72693
LA eng
NO CRUE-CSIC (Acuerdos Transformativos 2022)
NO Ministerio de Educación, Cultura y Deporte (MECD)
DS Docta Complutense
RD 29 abr 2024