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Author Donley, J. P. ♦ Rajasekaran, J. J. ♦ McCoy, J. D. ♦ Curro, J. G.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword PHYSICS ♦ POLYMERS ♦ LIQUIDS ♦ EQUILIBRIUM ♦ POTENTIALS ♦ CHAINS ♦ INTEGRAL EQUATIONS ♦ SIMULATION
Abstract We discuss a liquid-state theory for the equilibrium structure of inhomogeneous polymeric liquids. The theory consists of an equation for the density profile of a liquid in an external potential, which has been derived previously by density functional methods. In general, this equation must be solved by simulation techniques. However, if the chains are modeled as random walks---which is a reasonable approximation for flexible polymers at melt densities---we show that the theory reduces to a set of coupled integral equations which can be solved numerically. We present results for a single component liquid near a hard wall. Last, we show that, in the Gaussian thread limit, the theory reduces to a form that is very similar to Edwards--Helfand--Tagami ``self-consistent field`` theory. However, there are important differences between the two theories for multicomponent liquids (a blend for example) if the types of polymers are structurally dissimilar. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 1995-09-22
Publisher Department Sandia National Laboratory
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 103
Issue Number 12
Organization Sandia National Laboratory


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