Structure of liquids composed of shifted dipole linear molecules.
Simulation results for liquids composed of linear molecules interacting through dispersion forces and off-center dipoles are presented. Remarkable differences are found on the vapor-liquid equilibrium respect to that of centered dipole molecules. Even more remarkable is the appearance of additional short-range liquid structure at relatively large dipoles and aspect ratios. The existence of dipole dimers is clearly established, and some suggestions allowing for the correspondence between a particular macroscopic phenomenology and a particular dispersion potential function are presented.
Lago
Santiago
S
Departamento de Ciencias Ambientales, Facultad Ciencias Experimentales, Universidad Pablo de Olavide, Carretera Utrera Km 1, 41013 Seville, Spain. slagara@Princeton.edu
López-Vidal
Silvia
S
Garzón
Benito
B
Mejías
José A
JA
Anta
Juan A
JA
Calero
Sofía
S