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We propose a high-speed and accurate hybrid dynamic density functional theory for the computer simulations of the phase separation processes of polymer melts and blends. The proposed theory is a combination of the dynamic self-consistent…

Soft Condensed Matter · Physics 2009-11-11 Takashi Honda , Toshihiro Kawakatsu

Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depend crucially on their…

Soft Condensed Matter · Physics 2016-01-20 Pingwen Zhang , An-Chang Shi

The self-consistent field theory (SCFT) is a powerful framework for the study of the phase behavior and structural properties of many-body systems. In particular, polymeric SCFT has been successfully applied to inhomogeneous polymeric…

Soft Condensed Matter · Physics 2019-01-31 An-Chang Shi

We present an application of Flory-type self-consistent field theory of the flexible polymer chain dissolved in the binary mixture of solvents to theoretical description of co-nonsolvency. We show that our theoretical predictions are in…

Soft Condensed Matter · Physics 2017-11-10 Yu. A. Budkov , A. L. Kolesnikov

Within self-consistent field theory we study the phase behavior of a symmetrical binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A…

Statistical Mechanics · Physics 2007-05-23 M. Mueller , K. Binder , E. V. Albano

The theory of multiphase polymer systems has a venerable tradition. The 'classical' theory of polymer demixing, the Flory-Huggins theory, was developed already in the forties of the last century. It is still the starting point for most…

Soft Condensed Matter · Physics 2010-01-11 Friederike Schmid

We propose a field-theoretical approach to a polymer system immersed in an ideal mixture of clustering centers. The system contains several species of these clustering centers with different functionality, each of which connects a fixed…

Materials Science · Physics 2015-05-28 Riccardo Fantoni , Kristian K. Muller-Nedebock

Self-consistent field theory (SCFT) and strong segregation theory (SST) are used to explore the parameter space governing the self-assembly of cylinder forming block copolymers (BCPs) on a modulated substrate. The stability of in-plane…

Materials Science · Physics 2018-11-16 Karim Gadelrab , Alfredo Alexander-Katz

A simple application of classical density functional theory is derived and applied to a system of polymers grafted to a plane. The system is assumed to have symmetry in directions parallel to the grafting plane hence it being a…

Soft Condensed Matter · Physics 2016-12-02 Luke Kristopher Davis

We derive a general mean-field theory of inhomogeneous polymer dynamics; a theory whose form has been speculated and widely applied, but not heretofore derived. Our approach involves a functional integral representation of a…

Soft Condensed Matter · Physics 2015-06-18 Glenn H. Fredrickson , Henri Orland

We examine statistical field theories of polymeric fluids in view of performing numerical simulations. The partition function of these systems can be expressed as a functional integral over real density fields. The introduction of density…

Statistical Mechanics · Physics 2007-05-23 Glenn H. Fredrickson , Henri Orland

We present a generalized theory for studying phase separation in blends of polymers containing dipoles on their backbone. The theory is used to construct co-existence curves and to study the effects of dipolar interactions on interfacial…

Soft Condensed Matter · Physics 2014-11-04 Rajeev Kumar , Bobby G. Sumpter , M. Muthukumar

Within self-consistent field theory we study the phase behaviour of a symmetric binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A component…

Statistical Mechanics · Physics 2009-10-31 M. Mueller , K. Binder , E. V. Albano

The behavior of mesoscopic particles dissolved in a dilute solution of long, flexible, and nonadsorbing polymer chains is studied by field-theoretic methods. For spherical and cylindrical particles the solvation free energy for immersing a…

Soft Condensed Matter · Physics 2009-10-31 A. Hanke , E. Eisenriegler , S. Dietrich

We study analytically a continuum model for phase-separation in binary polymer blends based on the Flory-Huggins-De Gennes free energy, by means of the self-consistent large-$n$ limit approach. The model is solved for values of the…

Statistical Mechanics · Physics 2009-10-30 Claudio Castellano , Federico Corberi

We have generalized the Edwards' method of collective description of dense polymer systems in terms of effective potentials to polymer blends in the presence of a surface. With this method we have studied conformationally asymmetric…

Soft Condensed Matter · Physics 2009-11-11 Semjon Stepanow , Andrei A. Fedorenko

Using the Fundamental-Measure Density Functional Theory, we have studied theoretically the phase behavior of extremely confined mixtures of parallel hard squares in slit geometry. The pore width is chosen such that configurations consisting…

Soft Condensed Matter · Physics 2020-01-09 Yuri Martinez-Raton , Enrique Velasco

The self-consistent field theory is a popular and highly successful theoretical framework for studying equilibrium (co)polymer systems at the mesoscopic level. Dynamic density functionals allow one to use this framework for studying…

Soft Condensed Matter · Physics 2021-02-15 Friederike Schmid , Bing Li

The Flory Huggins equation of state for monodisperse polymers can be turned into a density functional by adding a square gradient term, with a coefficient fixed by appeal to RPA (random phase approximation). We present instead a model…

Soft Condensed Matter · Physics 2009-11-07 I. Pagonabarraga , M. E. Cates

Diblock copolymers blended with homopolymer may self-assemble into spherical, cylindrical or lamellar aggregates. Transitions between these structures may be driven by varying the homopolymer molecular weight or the molecular weight or…

Statistical Mechanics · Physics 2011-06-28 M. J. Greenall , D. M. A. Buzza , T. C. B. McLeish