Time-dependent properties of the fluid mixture Ne/Kr in the region of the critical mixing point at about 2000 bar

In continuation of our previous molecular dynamics calculations [1], the dynamic structure of the fluid mixture Ne/Kr is investigated in the region of its upper critical mixing point at high pressures. The time-dependent pair-distribution functions have been found to change anomalously near the critical point, relative to the range far above. These changes can be explained by a large increase in the characteristic time of the system close to its critical point, in agreement with experimental findings on other liquids and binary mixtures and theoretical predictions. Our calculations yield a correlation time which is about four times larger than for the non-critical system, in accord with light scattering experiments on similar systems. It is therefore confirmed again that MDC, using effective Lennard-Jones (12–6) potentials, is able to simulate satisfactorily many features of the real Ne/Kr system, including its gas-gas equilibrium of the second kind.