Title | Integral equation theory for dipolar hard sphere fluids with fluctuating orientational order |
Publication Type | Journal Article |
Year of Publication | 2000 |
Authors | Klapp, SHL, Patey, GN |
Journal | Journal of Chemical Physics |
Volume | 112 |
Pagination | 3832-3844 |
Date Published | Feb |
Type of Article | Article |
ISBN Number | 0021-9606 |
Keywords | BOUNDARY-CONDITIONS, COMPUTER-SIMULATION, DENSITY-FUNCTIONAL THEORY, EXTERNAL MAGNETIC-FIELD, HEISENBERG SPIN FLUID, HYPERNETTED-CHAIN APPROXIMATION, LIQUID-VAPOR INTERFACE, NONSPHERICAL PARTICLES, PARALLEL SPHEROCYLINDERS, PERIODIC, PHASE-TRANSITIONS |
Abstract | We present an integral equation approach to the structural and thermodynamic properties of a fluid of partially aligned dipolar hard spheres. To relate the two-particle correlation functions to the anisotropic singlet density, we mainly employ the Lovett-Mou-Buff-Wertheim equation. We show that, as in the isotropic case, the mean-spherical approximation and the reference hypernetted chain (RHNC) closures lead to quite different results. This is particularly true at high coupling strengths, where the RHNC theory shows a transition from an isotropic to a ferroelectric fluid phase. The predicted transition temperatures are very close to those one obtains from the RHNC theory for the isotropic fluid. (C) 2000 American Institute of Physics. [S0021-9606(00)50707-7]. |
URL | <Go to ISI>://000085345300041 |
