Multi-species dynamical density functional theory

作者：Goddard B D^*; Nold A; Kalliadasis S

来源：Journal of Chemical Physics, 2013, 138(14): 144904.

DOI：10.1063/1.4800109

• colloids
• density functional theory
• hydrodynamics
• integro-differential equations
• nonequilibrium flow
• numerical analysis
• two-phase flow

We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme based on spectral methods for integro-differential equations, demonstrate its excellent agreement with the full underlying Langevin equations. We utilise the DDFT formalism to elucidate the crucial effects of hydrodynamic interactions in multi-species systems.

• 出版日期2013-4-14