PRISM theory of the structure, thermodynamics, and phase transitions of polymer liquids and alloys

Schweizer, Kenneth S.; Curro, John G.

doi:10.1007/bfb0080203

Cited by 251 publications

(236 citation statements)

References 88 publications

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“…40,41 For binary polymer-particle mixtures ͑the solvent is treated as a continuum that only modifies the polymer-polymer interactions͒, the intermolecular site-site pair correlation functions, h i j (r)ϭg i j (r) Ϫ1, intermolecular site-site direct correlations, C i j (r), and the single molecule structure factors, are related via the generalized Ornstein-Zernike matrix integral equation which in Fourier space are given by…”

Section: B Integral Equation Theorymentioning

confidence: 99%

Polymer–particle mixtures: Depletion and packing effects

Doxastakis

Chen

Guzmán

et al. 2004

The Journal of Chemical Physics

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The structure of polymers in the vicinity of spherical colloids is investigated by Monte Carlo simulations and integral equation theory. Polymers are represented by a simple bead-spring model; only repulsive Lennard-Jones interactions are taken into account. Using advanced trial moves that alter chain connectivity, depletion and packing effects are analyzed as a function of chain length and density, both at the bond and the chain level. Chain ends segregate to the colloidal surface and polymer bonds orient parallel to it. In the dilute regime, the polymer chain length governs the range of depletion and has a negligible influence on monomer packing in dense polymer melts. Polymers adopt an ellipsoidal shape, with the larger axis parallel to the surface of the particle, as they approach larger colloids. The dimensions are perturbed within the range of the depletion layer.

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Section: B Integral Equation Theorymentioning

confidence: 99%

Polymer–particle mixtures: Depletion and packing effects

Doxastakis

Chen

Guzmán

et al. 2004

The Journal of Chemical Physics

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“…The intramolecular correlations between segments on a single chain are described by the form factor ˆ, which depends on the model used. For the models under consideration 20 ˆ͑q ͒ϭ…”

Section: Description Of the Meltmentioning

confidence: 99%

Density-functional theory of the crystallization of hard polymeric chains

Sushko

Schoot

Michels

2001

The Journal of Chemical Physics

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We study how connectivity influences the crystallization of fully flexible model polymers by applying a recently advanced amalgamation of the Green-function description of polymers, and the density-functional theory of simple liquids. Our calculations show that the model polymers only crystallize if the effective Kuhn length of the chains is sufficiently large compared with the range of the hard-core interaction between the segments. Also shown is the importance of bond-length fluctuations for the stability of the crystal phase.

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“…This approach, however, is not very convenient, as a coupled set of nonlinear equations corresponding to each site needs to be solved to obtain the density profile at each site. For uniform polymer systems, Schweizer and Curro [46][47][48] have developed a theory by averaging over the sites of the polymers, popularly known as the polymer reference interaction site model (PRISM).…”

Section: Introductionmentioning

confidence: 99%

“…where f = exp(−k 2 σ 2 /6) [48]. The recursive integral equation (17) for U (r) is solved iteratively using the Picard's method [50] and using equation (15) we obtain the density.…”

Section: Gaussian Polyelectrolytes: Mean Field Approximationmentioning

confidence: 99%

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Shell formation in short like-charged polyelectrolytes in a harmonic trap

Dutta

Jho

2016

Phys. Rev. E

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Inspired by recent experiments and simulations on pattern formation in biomolecules by optical tweezers, a theoretical description based on the reference interaction site model (RISM) is developed to calculate the equilibrium density profiles of small polyelectrolytes in an external potential. The formalism is applied to the specific case of a finite number of Gaussian and rodlike polyelectrolytes trapped in a harmonic potential. The density profiles of the polyelectrolytes are studied over a range of lengths and numbers of polyelectrolytes in the trap, and the strength of the trap potential. For smaller polymers we recover the results for point charges. In the mean field limit the longer polymers, unlike point charges, form a shell at the boundary layer. When the interpolymer correlations are included, the density profiles of the polymers show sharp shells even at weaker trap strengths. The implications of these results are discussed. * Electronic address: ysjho@apctp.org 1 arXiv:1511.03792v2 [cond-mat.soft]

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PRISM theory of the structure, thermodynamics, and phase transitions of polymer liquids and alloys

Cited by 251 publications

References 88 publications

Polymer–particle mixtures: Depletion and packing effects

Polymer–particle mixtures: Depletion and packing effects

Density-functional theory of the crystallization of hard polymeric chains

Shell formation in short like-charged polyelectrolytes in a harmonic trap

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