Polymeric self-consistent field

DPD), and dynamic polymeric self-consistent field (SCF) methods. 

Instead of the MC and MD methods using explicit particles, another method, that is, polymeric self-consistent field theory (SCFT) proposed by Edwards, is often used to study the phase separation of block copolymers. In SCFT, a polymer chain is treated as a Gaussian string, which is exposed to a set of effective chemical potentials ( ). The chemical potentials are used instead of the actual interactions between different components. Importantly, the relation between the external potentials and the concentration field ((/>) is bijective. 

Two main approaches for osmotic pressure of polymeric solutions theoretical description can be distinguished. First is Flory-Huggins method [1, 2], which afterwards has been determined as method of self-consistent field. In the initial variant the main attention has been paid into pair-wise interaction in the system gaped monomeric links - molecules of solvent . Flory-Huggins parameter % was a measure of above-said pair-wise interaction and this limited application of presented method by field of concentrated solutions. In subsequent variants such method was extended on individual macromolecules into diluted solutions with taken into account the tie-up of chain links by Gaussian statistics [1]. 

Self-consistent field theory has been applied to analyse the phase behaviour of binary blends of diblocks by Shi and Noolandi (1994,1995), Matsen (1995a) and Matsen and Bates (1995). Mixtures of long and short diblocks were considered by Shi and Noolandi (1994) and Matsen (1995a), whilst Shi and Noolandi (1995) and Matsen and Bates (1995) calculated phase diagrams for blends of diblocks with equal degrees of polymerization but different composition. 

These and others experimental facts have been theoretically analyzed with the use of the methods of the self-consistent field and scaling [7i-17], The results of an analysis can be lined in the following simplified model in the flocculent adsorption layer (a distance between the centers of the adsorptive molecules I > 2Rj, the polymeric chain is in practically the same conformational state as in the solution in dripless adsorptive layer (/ < 27 an interaction between the adsorbed chains compresses the pol5mieric bdls in the adsorption plate and stretches them in a form of the chain by blobs [76], cylinders [72] or rotation ellipsoids [75] along the normal to the surface. 

In the presented paper we will be started from the imagination about the volumetric form of the polymeric chains adsorption assuming that the anchor fit of the polymeric chain on the surface of adsorbent is realized via little number of z (z < N, where TV is a general number of links of the polymeric chain) of the end links forming the Langmuir connection with the active centers of adsorbent. In spite of fact, that the presented model, as it was mentioned earlier, in detail was analyzed with the use of the methods of self-consistent field and scaling, but it was not obtained its thermodynamical evolution. 

Roan, J.-R. Kawakatsu, T. Self-consistent-field theory for interacting polymeric assemblies. I. Formulation, implementation, and benchmark tests. J. Chem. Phys., 2002, 116,7283-7294. 

Keywords Polymer blends Self-consistent field theory External potential dynamics Field-theoretic polymer simulations Polymeric microemulsion Polymer dynamics... 

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