Mean field density-functional

Fraaije, J.G.E.M., Van Vlimmeren, B.A.C., Maurits, N.M., Postma, M., Evers, O.A., Hoffmann, C., Altevogt, P., Goldbeck-Wood, G. The dynamic mean-field density functional method and its application to the mesoscopic dynamics of quenched block copolymer melts. J. Chem. Phys. 106 (1997) 4260-4269. 

DYNAMIC MEAN-FIELD DENSITY FUNCTIONAL METHOD... 

The dynamic mean-field density functional method is similar to DPD in practice, but not in its mathematical formulation. This method is built around the density functional theory of coarse-grained systems. The actual simulation is a... 

Kierlik, E., Rosinberg, M.L., Fan, Y., and Monson, P. (1994). Prewetting at a liquid mixture-solid interface a comparison of Monte Carlo simulations with mean field density functional theory. J. Chem. Phys., 101, 10947-52. 

Comparison with mean-field density functional theory... 

In dynamic mean field density functional theory, the dynamics of the polymer melt under simple steady shear is described by the time evolution of density fields p/. The dynamics is governed by a diffusion-convection equation with sheared periodic boundary conditions and can readily be extended with (second order) reaction terms in the following manner ... 

Mean-field density functional theory (MF-DFT) calculations have been widely used fin the modeling of gas adsorption experiments in mesoporous materials [24-27]. For our lattice model, the mean-field expression of the grand potential is... 

The mean field density functional theory (DFT) approach was primarily developed by Evans and co-workers [67,68] for studying the interactions of fluids in pores at the molecular level. Recently, DFT methods have been developed specifically with the objective of the estimation of PSD of carbon-based as well as other types of microporous materials. This technique was first proposed by Seaton et al. [16], who used the local-DFT approximation. Later, the theory was modified by Lastoskie et al. [17,18] to incorporate the smoothed or nonlocal DFT approach. The rigorous statistical mechanics basis behind the DFT model has been recently reviewed by Gubbins [34]. Some sahent features of the theory are discussed later in this subsection. The DFT method initially proceeds by estimating the properties of a fluid directly from intermolecular forces such as that between sorbate-sorbent and sorbate-sorbate molecules. The interactions are divided into a short-ranged repulsive part and a long-ranged attractive part, which are both determined separately. 

L. Sarkisov, P. Monson, Lattice model of adsorption in disordered porous materials Mean-field density functional theory and Monte Carlo simulations, Phys. Rev. E 65 (2001) 011202. 

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