TY - JOUR
T1 - Structure of liquids composed of shifted dipole linear molecules
AU - Lago, Santiago
AU - López-Vidal, Silvia
AU - Garzón, Benito
AU - Mejías, José A.
AU - Anta, Juan A.
AU - Calero, Sofía
PY - 2003/8
Y1 - 2003/8
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85035227281&partnerID=8YFLogxK
U2 - 10.1103/PhysRevE.68.021201
DO - 10.1103/PhysRevE.68.021201
M3 - Article
AN - SCOPUS:37649027313
SN - 1063-651X
VL - 68
JO - Physical Review E: Statistical, Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
JF - Physical Review E: Statistical, Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
IS - 2
M1 - 021201
ER -