Response of (Poly)Atomic Fluids to Various Flows with Homogeneous Velocity Gradients

In this paper a transient non‐equilibrium method based on the so called Sllod equations of motions is developed to study polyatomic fluids in flows with a homogeneous velocity gradient in space. Various flows like pure deformational, pure rotational or elongational flows can be imposed and accommodated with periodic boundary conditions in order to avoid surface effects. The method is illustrated on an atomic fluid, on liquid butane and on liquid chlorine subject respectively to a planar Couette flow, a purely deformational flow and a pure rotational flow.