Mode coupling approach to the ideal glass transition of molecular liquids: Linear molecules
The mode coupling theory (MCT) for the ideal liquid glass transition, which was worked out for simple liquids mainly by Gotze, Sjogren, and their co-workers, is extended to a molecular liquid of linear and rigid molecules. By use of the projection formalism of Zwanzig and Mori an equation of motion is derived for the correlators S[sub lm,l[sup (prime)]m[sup (prime)]]([bold q],t) of the tensorial one-particle density rho [sub lm]([bold q],t), which contains the orientational degrees of freedom for l(greater-than)0. Application of the mode coupling approximation to the memory kernel results into a closed set of equations for S[sub lm,l[sup (prime)]m[sup (prime)]]([bold q],t), which requires t…
Glass transition for dipolar hard spheres: A mode-coupling approach
Abstract We apply the self-consistent mode-coupling equations, which were recently derived for molecular liquids, to a system of dipolar hard spheres. Making use of the direct correlation function in a mean spherical approximation and with a restriction of the rotational quantum number 1 to zero and one, we find three different phases in the η—T phase space. η and T denote the packing fraction and the temperature respectively. There is one phase where both the transitional degrees of freedom (TDOFs) and the orientational degrees of freedom (ODOFs) are ergodic (liquid), another phase with frozen TDOFs and ergodic ODOFs, and a third phase where TDOFs and ODOFs are frozen (glass). The dynamica…