EFFECT OF DIPOLAR INTERACTIONS ON THE PHASE-BEHAVIOR OF THE GAY-BERNELIQUID-CRYSTAL MODEL

A computer simulation study of the phase behavior of the dipolar Gay-B erne liquid crystal model is presented. The phase transitions are dete rmined with isothermal-isobaric (NPT) Monte Carlo simulations, utilizi ng the reaction field method. The electrostatic forces are found to ha ve a considerable effect on the nature of the observed phases, but the density at which the isotropic fluid becomes unstable with respect to partially ordered phases is seen to be remarkably insensitive to the strength of the dipole. We pay particular attention to the structure o f the mesophases, combining information from several singlet and pair distribution functions to build up an accurate picture of the molecula r arrangement of the systems. (C) 1998 American Institute of Physics. [S0021-9606(98)51544-9].